(1S,5R)-7-[4-[(3R)-3-[[2,6-bis(chloranyl)-4-[(1S)-1-oxidanylethyl]phenoxy]methyl]pyrrolidin-1-yl]phenyl]-N-cyclopropyl-N-[(3-methoxy-2-methyl-phenyl)methyl]-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide

Systemtic Name: (1S,5R)-7-[4-[(3R)-3-[[2,6-bis(chloranyl)-4-[(1S)-1-oxidanylethyl]phenoxy]methyl]pyrrolidin-1-yl]phenyl]-N-cyclopropyl-N-[(3-methoxy-2-methyl-phenyl)methyl]-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide Openeye Name: (1S,5R)-N-cyclopropyl-7-[4-[(3R)-3-[[2,6-dichloro-4-[(1S)-1-hydroxyethyl]phenoxy]methyl]pyrrolidin-1-yl]phenyl]-N-[(3-methoxy-2-methyl-phenyl)methyl]-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide CAS Name: (1S,5R)-N-cyclopropyl-7-[4-[(3R)-3-[[2,6-dichloro-4-[(1S)-1-hydroxyethyl]phenoxy]methyl]-1-pyrrolidinyl]phenyl]-N-[(3-methoxy-2-methylphenyl)methyl]-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide IUPAC Name: (1S,5R)-N-cyclopropyl-7-[4-[(3R)-3-[[2,6-dichloro-4-[(1S)-1-hydroxyethyl]phenoxy]methyl]pyrrolidin-1-yl]phenyl]-N-[(3-methoxy-2-methylphenyl)methyl]-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide Traditional Name: (1S,5R)-N-cyclopropyl-7-[4-[(3R)-3-[[2,6-dichloro-4-[(1S)-1-hydroxyethyl]phenoxy]methyl]pyrrolidino]phenyl]-N-(3-methoxy-2-methyl-benzyl)-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide Formula: C39H46Cl2N4O4 MolecularWeight: 705.71294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1OC)CN(C2CC2)C(=O)C3=C(CC4CNCC3N4)C5=CC=C(C=C5)N6CCC(C6)COC7=C(C=C(C=C7Cl)C(C)O)Cl

Isomeric SMILES

CC1=C(C=CC=C1OC)CN(C2CC2)C(=O)C3=C(C[C@H]4CNC[C@@H]3N4)C5=CC=C(C=C5)N6CC[C@H](C6)COC7=C(C=C(C=C7Cl)[C@H](C)O)Cl

InChI

InChI=1S/C39H46Cl2N4O4/c1-23-27(5-4-6-36(23)48-3)21-45(31-11-12-31)39(47)37-32(17-29-18-42-19-35(37)43-29)26-7-9-30(10-8-26)44-14-13-25(20-44)22-49-38-33(40)15-28(24(2)46)16-34(38)41/h4-10,15-16,24-25,29,31,35,42-43,46H,11-14,17-22H2,1-3H3/t24-,25+,29-,35-/m0/s1