1-[1-(1H-imidazol-2-ylmethyl)-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea

Systemtic Name: 1-[1-(1H-imidazol-2-ylmethyl)-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea Openeye Name: 1-[1-(1H-imidazol-2-ylmethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-(m-tolyl)urea CAS Name: 1-[1-(1H-imidazol-2-ylmethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea IUPAC Name: 1-[1-(1H-imidazol-2-ylmethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea Traditional Name: 1-[1-(1H-imidazol-2-ylmethyl)-2-keto-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-(m-tolyl)urea Formula: C27H24N6O2 MolecularWeight: 464.51846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC=CC=C4)CC5=NC=CN5

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC=CC=C4)CC5=NC=CN5

InChI

InChI=1S/C27H24N6O2/c1-18-8-7-11-20(16-18)30-27(35)32-25-26(34)33(17-23-28-14-15-29-23)22-13-6-5-12-21(22)24(31-25)19-9-3-2-4-10-19/h2-16,25H,17H2,1H3,(H,28,29)(H2,30,32,35)