N-(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)-4-pentyl-benzamide

Systemtic Name: N-(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)-4-pentyl-benzamide Openeye Name: N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-4-pentyl-benzamide CAS Name: N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-4-pentylbenzamide IUPAC Name: N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-4-pentylbenzamide Traditional Name: 4-amyl-N-(2-keto-1-methyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)benzamide Formula: C28H29N3O2 MolecularWeight: 439.54876

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC=CC=C4)C

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC=CC=C4)C

InChI

InChI=1S/C28H29N3O2/c1-3-4-6-11-20-16-18-22(19-17-20)27(32)30-26-28(33)31(2)24-15-10-9-14-23(24)25(29-26)21-12-7-5-8-13-21/h5,7-10,12-19,26H,3-4,6,11H2,1-2H3,(H,30,32)