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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)N4CCCCCC4)C

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)N4CCCCCC4)C

InChI

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