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

Systemtic Name: N-(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)-N-(5-oxidanylpentyl)hexanamide Openeye Name: N-(5-hydroxypentyl)-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)hexanamide CAS Name: N-(5-hydroxypentyl)-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)hexanamide IUPAC Name: N-(5-hydroxypentyl)-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)hexanamide Traditional Name: N-(5-hydroxypentyl)-N-(2-keto-1-methyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)hexanamide Formula: C27H35N3O3 MolecularWeight: 449.5851

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N(CCCCCO)C1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=C3)C

Isomeric SMILES

CCCCCC(=O)N(CCCCCO)C1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=C3)C

InChI

InChI=1S/C27H35N3O3/c1-3-4-7-18-24(32)30(19-12-6-13-20-31)26-27(33)29(2)23-17-11-10-16-22(23)25(28-26)21-14-8-5-9-15-21/h5,8-11,14-17,26,31H,3-4,6-7,12-13,18-20H2,1-2H3