1-[5-(azepan-1-yl)-2-oxidanylidene-1-propyl-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea

Systemtic Name: 1-[5-(azepan-1-yl)-2-oxidanylidene-1-propyl-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea Openeye Name: 1-[5-(azepan-1-yl)-2-oxo-1-propyl-3H-1,4-benzodiazepin-3-yl]-3-(m-tolyl)urea CAS Name: 1-[5-(1-azepanyl)-2-oxo-1-propyl-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea IUPAC Name: 1-[5-(azepan-1-yl)-2-oxo-1-propyl-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea Traditional Name: 1-[5-(azepan-1-yl)-2-keto-1-propyl-3H-1,4-benzodiazepin-3-yl]-3-(m-tolyl)urea Formula: C26H33N5O2 MolecularWeight: 447.57252

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC=CC(=C3)C)N4CCCCCC4

Isomeric SMILES

CCCN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC=CC(=C3)C)N4CCCCCC4

InChI

InChI=1S/C26H33N5O2/c1-3-15-31-22-14-7-6-13-21(22)24(30-16-8-4-5-9-17-30)28-23(25(31)32)29-26(33)27-20-12-10-11-19(2)18-20/h6-7,10-14,18,23H,3-5,8-9,15-17H2,1-2H3,(H2,27,29,33)