(1S,5S)-7-[4-[[(6-chloranyl-2-fluoranyl-3-methyl-phenyl)methyl-methyl-amino]methyl]phenyl]-N-cyclopropyl-N-[(3-methoxy-2-methyl-phenyl)methyl]-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide

Systemtic Name: (1S,5S)-7-[4-[[(6-chloranyl-2-fluoranyl-3-methyl-phenyl)methyl-methyl-amino]methyl]phenyl]-N-cyclopropyl-N-[(3-methoxy-2-methyl-phenyl)methyl]-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide Openeye Name: (1S,5S)-7-[4-[[(6-chloro-2-fluoro-3-methyl-phenyl)methyl-methyl-amino]methyl]phenyl]-N-cyclopropyl-N-[(3-methoxy-2-methyl-phenyl)methyl]-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide CAS Name: (1S,5S)-7-[4-[[(6-chloro-2-fluoro-3-methylphenyl)methyl-methylamino]methyl]phenyl]-N-cyclopropyl-N-[(3-methoxy-2-methylphenyl)methyl]-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide IUPAC Name: (1S,5S)-7-[4-[[(6-chloro-2-fluoro-3-methylphenyl)methyl-methylamino]methyl]phenyl]-N-cyclopropyl-N-[(3-methoxy-2-methylphenyl)methyl]-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide Traditional Name: (1S,5S)-7-[4-[[(6-chloro-2-fluoro-3-methyl-benzyl)-methyl-amino]methyl]phenyl]-N-cyclopropyl-N-(3-methoxy-2-methyl-benzyl)-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide Formula: C36H42ClFN4O2 MolecularWeight: 617.195683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)Cl)CN(C)CC2=CC=C(C=C2)C3=C(C4CNCC(C3)N4)C(=O)N(CC5=C(C(=CC=C5)OC)C)C6CC6)F

Isomeric SMILES

CC1=C(C(=C(C=C1)Cl)CN(C)CC2=CC=C(C=C2)C3=C([C@H]4CNC[C@H](C3)N4)C(=O)N(CC5=C(C(=CC=C5)OC)C)C6CC6)F

InChI

InChI=1S/C36H42ClFN4O2/c1-22-8-15-31(37)30(35(22)38)21-41(3)19-24-9-11-25(12-10-24)29-16-27-17-39-18-32(40-27)34(29)36(43)42(28-13-14-28)20-26-6-5-7-33(44-4)23(26)2/h5-12,15,27-28,32,39-40H,13-14,16-21H2,1-4H3/t27-,32+/m0/s1