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

Systemtic Name: N-(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)-2-propyl-octanamide Openeye Name: N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-2-propyl-octanamide CAS Name: N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-2-propyloctanamide IUPAC Name: N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-2-propyloctanamide Traditional Name: N-(2-keto-1-methyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)-2-propyl-caprylamide Formula: C27H35N3O2 MolecularWeight: 433.5857

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H35N3O2/c1-4-6-7-9-17-21(14-5-2)26(31)29-25-27(32)30(3)23-19-13-12-18-22(23)24(28-25)20-15-10-8-11-16-20/h8,10-13,15-16,18-19,21,25H,4-7,9,14,17H2,1-3H3,(H,29,31)