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

Systemtic Name: 1-(3-methylphenyl)-1-[1-(2-methylpropyl)-2-oxidanylidene-5-pyridin-2-yl-3H-1,4-benzodiazepin-3-yl]urea Openeye Name: 1-[1-isobutyl-2-oxo-5-(2-pyridyl)-3H-1,4-benzodiazepin-3-yl]-1-(m-tolyl)urea CAS Name: 1-(3-methylphenyl)-1-[1-(2-methylpropyl)-2-oxo-5-(2-pyridinyl)-3H-1,4-benzodiazepin-3-yl]urea IUPAC Name: 1-(3-methylphenyl)-1-[1-(2-methylpropyl)-2-oxo-5-pyridin-2-yl-3H-1,4-benzodiazepin-3-yl]urea Traditional Name: 1-[1-isobutyl-2-keto-5-(2-pyridyl)-3H-1,4-benzodiazepin-3-yl]-1-(m-tolyl)urea Formula: C26H27N5O2 MolecularWeight: 441.52488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(C2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC=CC=N4)CC(C)C)C(=O)N

Isomeric SMILES

CC1=CC(=CC=C1)N(C2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC=CC=N4)CC(C)C)C(=O)N

InChI

InChI=1S/C26H27N5O2/c1-17(2)16-30-22-13-5-4-11-20(22)23(21-12-6-7-14-28-21)29-24(25(30)32)31(26(27)33)19-10-8-9-18(3)15-19/h4-15,17,24H,16H2,1-3H3,(H2,27,33)