3-ethanoyl-2-(2-methylpropyl)-N-[2-oxidanylidene-1-[(3-phenoxyphenyl)methyl]-5-phenyl-3H-1,4-benzodiazepin-3-yl]hex-5-enamide

Systemtic Name: 3-ethanoyl-2-(2-methylpropyl)-N-[2-oxidanylidene-1-[(3-phenoxyphenyl)methyl]-5-phenyl-3H-1,4-benzodiazepin-3-yl]hex-5-enamide Openeye Name: 3-acetyl-2-isobutyl-N-[2-oxo-1-[(3-phenoxyphenyl)methyl]-5-phenyl-3H-1,4-benzodiazepin-3-yl]hex-5-enamide CAS Name: 3-acetyl-2-(2-methylpropyl)-N-[2-oxo-1-[(3-phenoxyphenyl)methyl]-5-phenyl-3H-1,4-benzodiazepin-3-yl]-5-hexenamide IUPAC Name: 3-acetyl-2-(2-methylpropyl)-N-[2-oxo-1-[(3-phenoxyphenyl)methyl]-5-phenyl-3H-1,4-benzodiazepin-3-yl]hex-5-enamide Traditional Name: 3-acetyl-2-isobutyl-N-[2-keto-1-(3-phenoxybenzyl)-5-phenyl-3H-1,4-benzodiazepin-3-yl]hex-5-enamide Formula: C40H41N3O4 MolecularWeight: 627.77124

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(CC=C)C(=O)C)C(=O)NC1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=C3)CC4=CC(=CC=C4)OC5=CC=CC=C5

Isomeric SMILES

CC(C)CC(C(CC=C)C(=O)C)C(=O)NC1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=C3)CC4=CC(=CC=C4)OC5=CC=CC=C5

InChI

InChI=1S/C40H41N3O4/c1-5-15-33(28(4)44)35(24-27(2)3)39(45)42-38-40(46)43(26-29-16-14-21-32(25-29)47-31-19-10-7-11-20-31)36-23-13-12-22-34(36)37(41-38)30-17-8-6-9-18-30/h5-14,16-23,25,27,33,35,38H,1,15,24,26H2,2-4H3,(H,42,45)