3-(cyclopentylmethyl)-N'-[1-[(3-naphthalen-2-ylphenyl)methyl]-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]-2-prop-2-enyl-butanediamide

Systemtic Name: 3-(cyclopentylmethyl)-N'-[1-[(3-naphthalen-2-ylphenyl)methyl]-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]-2-prop-2-enyl-butanediamide Openeye Name: 2-allyl-3-(cyclopentylmethyl)-N'-[1-[[3-(2-naphthyl)phenyl]methyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]butanediamide CAS Name: 3-(cyclopentylmethyl)-N'-[1-[[3-(2-naphthalenyl)phenyl]methyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-2-prop-2-enylbutanediamide IUPAC Name: 3-(cyclopentylmethyl)-N'-[1-[(3-naphthalen-2-ylphenyl)methyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-2-prop-2-enylbutanediamide Traditional Name: 2-allyl-3-(cyclopentylmethyl)-N'-[2-keto-1-[3-(2-naphthyl)benzyl]-5-phenyl-3H-1,4-benzodiazepin-3-yl]succinamide Formula: C45H44N4O3 MolecularWeight: 688.85586

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(C(CC1CCCC1)C(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC=CC=C4)CC5=CC=CC(=C5)C6=CC7=CC=CC=C7C=C6)C(=O)N

Isomeric SMILES

C=CCC(C(CC1CCCC1)C(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC=CC=C4)CC5=CC=CC(=C5)C6=CC7=CC=CC=C7C=C6)C(=O)N

InChI

InChI=1S/C45H44N4O3/c1-2-13-37(42(46)50)39(27-30-14-6-7-15-30)44(51)48-43-45(52)49(40-23-11-10-22-38(40)41(47-43)33-18-4-3-5-19-33)29-31-16-12-21-34(26-31)36-25-24-32-17-8-9-20-35(32)28-36/h2-5,8-12,16-26,28,30,37,39,43H,1,6-7,13-15,27,29H2,(H2,46,50)(H,48,51)