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

Systemtic Name: (1S,5S)-N-[[2,3-bis(chloranyl)phenyl]methyl]-7-[4-[[(2-cyanophenyl)methyl-ethyl-amino]methyl]phenyl]-N-cyclopropyl-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide Openeye Name: (1S,5S)-7-[4-[[(2-cyanophenyl)methyl-ethyl-amino]methyl]phenyl]-N-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide CAS Name: (1S,5S)-7-[4-[[(2-cyanophenyl)methyl-ethylamino]methyl]phenyl]-N-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide IUPAC Name: (1S,5S)-7-[4-[[(2-cyanophenyl)methyl-ethylamino]methyl]phenyl]-N-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide Traditional Name: (1S,5S)-7-[4-[[(2-cyanobenzyl)-ethyl-amino]methyl]phenyl]-N-cyclopropyl-N-(2,3-dichlorobenzyl)-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide Formula: C35H37Cl2N5O MolecularWeight: 614.60718

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=C(C=C1)C2=C(C3CNCC(C2)N3)C(=O)N(CC4=C(C(=CC=C4)Cl)Cl)C5CC5)CC6=CC=CC=C6C#N

Isomeric SMILES

CCN(CC1=CC=C(C=C1)C2=C([C@H]3CNC[C@H](C2)N3)C(=O)N(CC4=C(C(=CC=C4)Cl)Cl)C5CC5)CC6=CC=CC=C6C#N

InChI

InChI=1S/C35H37Cl2N5O/c1-2-41(21-26-7-4-3-6-25(26)17-38)20-23-10-12-24(13-11-23)30-16-28-18-39-19-32(40-28)33(30)35(43)42(29-14-15-29)22-27-8-5-9-31(36)34(27)37/h3-13,28-29,32,39-40H,2,14-16,18-22H2,1H3/t28-,32+/m0/s1