2-(cyclopropylmethyl)-N-[5-methyl-2-oxidanylidene-1-[(3-phenoxyphenyl)methyl]-3H-1,4-benzodiazepin-3-yl]-3-oxidanyl-heptanamide

Systemtic Name: 2-(cyclopropylmethyl)-N-[5-methyl-2-oxidanylidene-1-[(3-phenoxyphenyl)methyl]-3H-1,4-benzodiazepin-3-yl]-3-oxidanyl-heptanamide Openeye Name: 2-(cyclopropylmethyl)-3-hydroxy-N-[5-methyl-2-oxo-1-[(3-phenoxyphenyl)methyl]-3H-1,4-benzodiazepin-3-yl]heptanamide CAS Name: 2-(cyclopropylmethyl)-3-hydroxy-N-[5-methyl-2-oxo-1-[(3-phenoxyphenyl)methyl]-3H-1,4-benzodiazepin-3-yl]heptanamide IUPAC Name: 2-(cyclopropylmethyl)-3-hydroxy-N-[5-methyl-2-oxo-1-[(3-phenoxyphenyl)methyl]-3H-1,4-benzodiazepin-3-yl]heptanamide Traditional Name: 2-(cyclopropylmethyl)-3-hydroxy-N-[2-keto-5-methyl-1-(3-phenoxybenzyl)-3H-1,4-benzodiazepin-3-yl]enanthamide Formula: C34H39N3O4 MolecularWeight: 553.69116

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(CC1CC1)C(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C)CC4=CC(=CC=C4)OC5=CC=CC=C5)O

Isomeric SMILES

CCCCC(C(CC1CC1)C(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C)CC4=CC(=CC=C4)OC5=CC=CC=C5)O

InChI

InChI=1S/C34H39N3O4/c1-3-4-17-31(38)29(21-24-18-19-24)33(39)36-32-34(40)37(30-16-9-8-15-28(30)23(2)35-32)22-25-11-10-14-27(20-25)41-26-12-6-5-7-13-26/h5-16,20,24,29,31-32,38H,3-4,17-19,21-22H2,1-2H3,(H,36,39)