5-chloranyl-N-[1-(1H-imidazol-5-ylmethyl)-4-naphthalen-1-ylcarbonyl-5H-1,4-benzodiazepin-8-yl]cyclohexene-1-carboxamide

Systemtic Name: 5-chloranyl-N-[1-(1H-imidazol-5-ylmethyl)-4-naphthalen-1-ylcarbonyl-5H-1,4-benzodiazepin-8-yl]cyclohexene-1-carboxamide Openeye Name: 5-chloro-N-[1-(1H-imidazol-5-ylmethyl)-4-(naphthalene-1-carbonyl)-5H-1,4-benzodiazepin-8-yl]cyclohexene-1-carboxamide CAS Name: 5-chloro-N-[1-(1H-imidazol-5-ylmethyl)-4-[1-naphthalenyl(oxo)methyl]-5H-1,4-benzodiazepin-8-yl]-1-cyclohexenecarboxamide IUPAC Name: 5-chloro-N-[1-(1H-imidazol-5-ylmethyl)-4-(naphthalene-1-carbonyl)-5H-1,4-benzodiazepin-8-yl]cyclohexene-1-carboxamide Traditional Name: 5-chloro-N-[1-(1H-imidazol-5-ylmethyl)-4-(1-naphthoyl)-5H-1,4-benzodiazepin-8-yl]cyclohexene-1-carboxamide Formula: C31H28ClN5O2 MolecularWeight: 538.03932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(=C1)C(=O)NC2=CC3=C(CN(C=CN3CC4=CN=CN4)C(=O)C5=CC=CC6=CC=CC=C65)C=C2)Cl

Isomeric SMILES

C1CC(CC(=C1)C(=O)NC2=CC3=C(CN(C=CN3CC4=CN=CN4)C(=O)C5=CC=CC6=CC=CC=C65)C=C2)Cl

InChI

InChI=1S/C31H28ClN5O2/c32-24-8-3-7-22(15-24)30(38)35-25-12-11-23-18-37(14-13-36(29(23)16-25)19-26-17-33-20-34-26)31(39)28-10-4-6-21-5-1-2-9-27(21)28/h1-2,4-7,9-14,16-17,20,24H,3,8,15,18-19H2,(H,33,34)(H,35,38)