2-[2-(4-butoxyphenyl)ethanoylamino]-N-(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)propanamide

Systemtic Name: 2-[2-(4-butoxyphenyl)ethanoylamino]-N-(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)propanamide Openeye Name: 2-[[2-(4-butoxyphenyl)acetyl]amino]-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)propanamide CAS Name: 2-[[2-(4-butoxyphenyl)-1-oxoethyl]amino]-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)propanamide IUPAC Name: 2-[[2-(4-butoxyphenyl)acetyl]amino]-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)propanamide Traditional Name: 2-[[2-(4-butoxyphenyl)acetyl]amino]-N-(2-keto-1-methyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)propionamide Formula: C31H34N4O4 MolecularWeight: 526.62606

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)CC(=O)NC(C)C(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC=CC=C4)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)CC(=O)NC(C)C(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC=CC=C4)C

InChI

InChI=1S/C31H34N4O4/c1-4-5-19-39-24-17-15-22(16-18-24)20-27(36)32-21(2)30(37)34-29-31(38)35(3)26-14-10-9-13-25(26)28(33-29)23-11-7-6-8-12-23/h6-18,21,29H,4-5,19-20H2,1-3H3,(H,32,36)(H,34,37)