1-[5-[2-(2-methylphenyl)-2-oxidanylidene-ethyl]-4-oxidanylidene-1-piperidin-2-ylcarbonyl-2,3-dihydro-1,5-benzodiazepin-3-yl]urea

Systemtic Name: 1-[5-[2-(2-methylphenyl)-2-oxidanylidene-ethyl]-4-oxidanylidene-1-piperidin-2-ylcarbonyl-2,3-dihydro-1,5-benzodiazepin-3-yl]urea Openeye Name: [5-[2-(o-tolyl)-2-oxo-ethyl]-4-oxo-1-(piperidine-2-carbonyl)-2,3-dihydro-1,5-benzodiazepin-3-yl]urea CAS Name: [5-[2-(2-methylphenyl)-2-oxoethyl]-4-oxo-1-[oxo(2-piperidinyl)methyl]-2,3-dihydro-1,5-benzodiazepin-3-yl]urea IUPAC Name: [5-[2-(2-methylphenyl)-2-oxoethyl]-4-oxo-1-(piperidine-2-carbonyl)-2,3-dihydro-1,5-benzodiazepin-3-yl]urea Traditional Name: [4-keto-5-[2-keto-2-(o-tolyl)ethyl]-1-pipecoloyl-2,3-dihydro-1,5-benzodiazepin-3-yl]urea Formula: C25H29N5O4 MolecularWeight: 463.52886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)CN2C3=CC=CC=C3N(CC(C2=O)NC(=O)N)C(=O)C4CCCCN4

Isomeric SMILES

CC1=CC=CC=C1C(=O)CN2C3=CC=CC=C3N(CC(C2=O)NC(=O)N)C(=O)C4CCCCN4

InChI

InChI=1S/C25H29N5O4/c1-16-8-2-3-9-17(16)22(31)15-30-21-12-5-4-11-20(21)29(14-19(24(30)33)28-25(26)34)23(32)18-10-6-7-13-27-18/h2-5,8-9,11-12,18-19,27H,6-7,10,13-15H2,1H3,(H3,26,28,34)