1-[(3S)-1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]-2,5-bis(oxidanylidene)-3,4-dihydro-1-benzazepin-3-yl]-3-(3-methylphenyl)urea

Systemtic Name: 1-[(3S)-1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]-2,5-bis(oxidanylidene)-3,4-dihydro-1-benzazepin-3-yl]-3-(3-methylphenyl)urea Openeye Name: 1-[(3S)-1-[2-(3,5-dimethyl-1-piperidyl)-2-oxo-ethyl]-2,5-dioxo-3,4-dihydro-1-benzazepin-3-yl]-3-(m-tolyl)urea CAS Name: 1-[(3S)-1-[2-(3,5-dimethyl-1-piperidinyl)-2-oxoethyl]-2,5-dioxo-3,4-dihydro-1-benzazepin-3-yl]-3-(3-methylphenyl)urea IUPAC Name: 1-[(3S)-1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2,5-dioxo-3,4-dihydro-1-benzazepin-3-yl]-3-(3-methylphenyl)urea Traditional Name: 1-[(3S)-1-[2-(3,5-dimethylpiperidino)-2-keto-ethyl]-2,5-diketo-3,4-dihydro-1-benzazepin-3-yl]-3-(m-tolyl)urea Formula: C27H32N4O4 MolecularWeight: 476.56738

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)CN2C3=CC=CC=C3C(=O)CC(C2=O)NC(=O)NC4=CC=CC(=C4)C)C

Isomeric SMILES

CC1CC(CN(C1)C(=O)CN2C3=CC=CC=C3C(=O)C[C@@H](C2=O)NC(=O)NC4=CC=CC(=C4)C)C

InChI

InChI=1S/C27H32N4O4/c1-17-7-6-8-20(12-17)28-27(35)29-22-13-24(32)21-9-4-5-10-23(21)31(26(22)34)16-25(33)30-14-18(2)11-19(3)15-30/h4-10,12,18-19,22H,11,13-16H2,1-3H3,(H2,28,29,35)/t18?,19?,22-/m0/s1