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

Systemtic Name: 1-[5-(azepan-1-yl)-1-ethyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea Openeye Name: 1-[5-(azepan-1-yl)-1-ethyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-(m-tolyl)urea CAS Name: 1-[5-(1-azepanyl)-1-ethyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea IUPAC Name: 1-[5-(azepan-1-yl)-1-ethyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea Traditional Name: 1-[5-(azepan-1-yl)-1-ethyl-2-keto-3H-1,4-benzodiazepin-3-yl]-3-(m-tolyl)urea Formula: C25H31N5O2 MolecularWeight: 433.54594

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC=CC(=C3)C)N4CCCCCC4

Isomeric SMILES

CCN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)NC3=CC=CC(=C3)C)N4CCCCCC4

InChI

InChI=1S/C25H31N5O2/c1-3-30-21-14-7-6-13-20(21)23(29-15-8-4-5-9-16-29)27-22(24(30)31)28-25(32)26-19-12-10-11-18(2)17-19/h6-7,10-14,17,22H,3-5,8-9,15-16H2,1-2H3,(H2,26,28,32)