3-(cyclobutylmethyl)-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-(cyclobutylmethyl)-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-(cyclobutylmethyl)-N'-[1-[[3-(2-naphthyl)phenyl]methyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]butanediamide CAS Name: 3-(cyclobutylmethyl)-N'-[1-[[3-(2-naphthalenyl)phenyl]methyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-2-prop-2-enylbutanediamide IUPAC Name: 3-(cyclobutylmethyl)-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-(cyclobutylmethyl)-N'-[2-keto-1-[3-(2-naphthyl)benzyl]-5-phenyl-3H-1,4-benzodiazepin-3-yl]succinamide Formula: C44H42N4O3 MolecularWeight: 674.82928

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(C(CC1CCC1)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(CC1CCC1)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/C44H42N4O3/c1-2-12-36(41(45)49)38(26-29-13-10-14-29)43(50)47-42-44(51)48(39-22-9-8-21-37(39)40(46-42)32-17-4-3-5-18-32)28-30-15-11-20-33(25-30)35-24-23-31-16-6-7-19-34(31)27-35/h2-9,11,15-25,27,29,36,38,42H,1,10,12-14,26,28H2,(H2,45,49)(H,47,50)