3-(cyclopentylmethyl)-N'-[2-oxidanylidene-1-[(3-phenoxyphenyl)methyl]-5-phenyl-3H-1,4-benzodiazepin-3-yl]-2-propyl-butanediamide

Systemtic Name: 3-(cyclopentylmethyl)-N'-[2-oxidanylidene-1-[(3-phenoxyphenyl)methyl]-5-phenyl-3H-1,4-benzodiazepin-3-yl]-2-propyl-butanediamide Openeye Name: 3-(cyclopentylmethyl)-N'-[2-oxo-1-[(3-phenoxyphenyl)methyl]-5-phenyl-3H-1,4-benzodiazepin-3-yl]-2-propyl-butanediamide CAS Name: 3-(cyclopentylmethyl)-N'-[2-oxo-1-[(3-phenoxyphenyl)methyl]-5-phenyl-3H-1,4-benzodiazepin-3-yl]-2-propylbutanediamide IUPAC Name: 3-(cyclopentylmethyl)-N'-[2-oxo-1-[(3-phenoxyphenyl)methyl]-5-phenyl-3H-1,4-benzodiazepin-3-yl]-2-propylbutanediamide Traditional Name: 3-(cyclopentylmethyl)-N'-[2-keto-1-(3-phenoxybenzyl)-5-phenyl-3H-1,4-benzodiazepin-3-yl]-2-propyl-succinamide Formula: C41H44N4O4 MolecularWeight: 656.81246

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(CC1CCCC1)C(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC=CC=C4)CC5=CC(=CC=C5)OC6=CC=CC=C6)C(=O)N

Isomeric SMILES

CCCC(C(CC1CCCC1)C(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC=CC=C4)CC5=CC(=CC=C5)OC6=CC=CC=C6)C(=O)N

InChI

InChI=1S/C41H44N4O4/c1-2-14-33(38(42)46)35(26-28-15-9-10-16-28)40(47)44-39-41(48)45(27-29-17-13-22-32(25-29)49-31-20-7-4-8-21-31)36-24-12-11-23-34(36)37(43-39)30-18-5-3-6-19-30/h3-8,11-13,17-25,28,33,35,39H,2,9-10,14-16,26-27H2,1H3,(H2,42,46)(H,44,47)