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

Systemtic Name: 2-butyl-N-(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)octanamide Openeye Name: 2-butyl-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)octanamide CAS Name: 2-butyl-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)octanamide IUPAC Name: 2-butyl-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)octanamide Traditional Name: 2-butyl-N-(2-keto-1-methyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)caprylamide Formula: C28H37N3O2 MolecularWeight: 447.61228

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCCC)C(=O)NC1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=C3)C

Isomeric SMILES

CCCCCCC(CCCC)C(=O)NC1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=C3)C

InChI

InChI=1S/C28H37N3O2/c1-4-6-8-10-18-22(15-7-5-2)27(32)30-26-28(33)31(3)24-20-14-13-19-23(24)25(29-26)21-16-11-9-12-17-21/h9,11-14,16-17,19-20,22,26H,4-8,10,15,18H2,1-3H3,(H,30,32)