N-[5-(azepan-1-yl)-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]-4-phenyl-butanamide

Systemtic Name: N-[5-(azepan-1-yl)-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]-4-phenyl-butanamide Openeye Name: N-[5-(azepan-1-yl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-4-phenyl-butanamide CAS Name: N-[5-(1-azepanyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-4-phenylbutanamide IUPAC Name: N-[5-(azepan-1-yl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-4-phenylbutanamide Traditional Name: N-[5-(azepan-1-yl)-2-keto-1-methyl-3H-1,4-benzodiazepin-3-yl]-4-phenyl-butyramide Formula: C26H32N4O2 MolecularWeight: 432.55788

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)CCCC3=CC=CC=C3)N4CCCCCC4

Isomeric SMILES

CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)CCCC3=CC=CC=C3)N4CCCCCC4

InChI

InChI=1S/C26H32N4O2/c1-29-22-16-8-7-15-21(22)25(30-18-9-2-3-10-19-30)28-24(26(29)32)27-23(31)17-11-14-20-12-5-4-6-13-20/h4-8,12-13,15-16,24H,2-3,9-11,14,17-19H2,1H3,(H,27,31)