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

Systemtic Name: 1-[1-[2-(1-adamantyl)-2-oxidanylidene-ethyl]-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea Openeye Name: 1-[1-[2-(1-adamantyl)-2-oxo-ethyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-(m-tolyl)urea CAS Name: 1-[1-[2-(1-adamantyl)-2-oxoethyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea IUPAC Name: 1-[1-[2-(1-adamantyl)-2-oxoethyl]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea Traditional Name: 1-[1-[2-(1-adamantyl)-2-keto-ethyl]-2-keto-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-(m-tolyl)urea Formula: C35H36N4O3 MolecularWeight: 560.68534

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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)CC(=O)C56CC7CC(C5)CC(C7)C6

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC=CC=C4)CC(=O)C56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C35H36N4O3/c1-22-8-7-11-27(14-22)36-34(42)38-32-33(41)39(21-30(40)35-18-23-15-24(19-35)17-25(16-23)20-35)29-13-6-5-12-28(29)31(37-32)26-9-3-2-4-10-26/h2-14,23-25,32H,15-21H2,1H3,(H2,36,38,42)