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

Systemtic Name: 1-[5-(azepan-1-yl)-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]-1-(3-methylphenyl)urea Openeye Name: 1-[5-(azepan-1-yl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-1-(m-tolyl)urea CAS Name: 1-[5-(1-azepanyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-1-(3-methylphenyl)urea IUPAC Name: 1-[5-(azepan-1-yl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-1-(3-methylphenyl)urea Traditional Name: 1-[5-(azepan-1-yl)-2-keto-1-methyl-3H-1,4-benzodiazepin-3-yl]-1-(m-tolyl)urea Formula: C24H29N5O2 MolecularWeight: 419.51936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(C2C(=O)N(C3=CC=CC=C3C(=N2)N4CCCCCC4)C)C(=O)N

Isomeric SMILES

CC1=CC(=CC=C1)N(C2C(=O)N(C3=CC=CC=C3C(=N2)N4CCCCCC4)C)C(=O)N

InChI

InChI=1S/C24H29N5O2/c1-17-10-9-11-18(16-17)29(24(25)31)22-23(30)27(2)20-13-6-5-12-19(20)21(26-22)28-14-7-3-4-8-15-28/h5-6,9-13,16,22H,3-4,7-8,14-15H2,1-2H3,(H2,25,31)