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

Systemtic Name: 2-butyl-3-(cyclopropylmethyl)-N'-[1-[(3-naphthalen-2-ylphenyl)methyl]-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]butanediamide Openeye Name: 2-butyl-3-(cyclopropylmethyl)-N'-[1-[[3-(2-naphthyl)phenyl]methyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]butanediamide CAS Name: 2-butyl-3-(cyclopropylmethyl)-N'-[1-[[3-(2-naphthalenyl)phenyl]methyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]butanediamide IUPAC Name: 2-butyl-3-(cyclopropylmethyl)-N'-[1-[(3-naphthalen-2-ylphenyl)methyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]butanediamide Traditional Name: 2-butyl-3-(cyclopropylmethyl)-N'-[2-keto-1-[3-(2-naphthyl)benzyl]-5-phenyl-3H-1,4-benzodiazepin-3-yl]succinamide Formula: C44H44N4O3 MolecularWeight: 676.84516

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(CC1CC1)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

CCCCC(C(CC1CC1)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/C44H44N4O3/c1-2-3-18-36(41(45)49)38(26-29-21-22-29)43(50)47-42-44(51)48(39-20-10-9-19-37(39)40(46-42)32-14-5-4-6-15-32)28-30-12-11-17-33(25-30)35-24-23-31-13-7-8-16-34(31)27-35/h4-17,19-20,23-25,27,29,36,38,42H,2-3,18,21-22,26,28H2,1H3,(H2,45,49)(H,47,50)