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

Systemtic Name: 1-[5-(3,3-dimethylpiperidin-1-yl)-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea Openeye Name: 1-[5-(3,3-dimethyl-1-piperidyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-(m-tolyl)urea CAS Name: 1-[5-(3,3-dimethyl-1-piperidinyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea IUPAC Name: 1-[5-(3,3-dimethylpiperidin-1-yl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea Traditional Name: 1-[5-(3,3-dimethylpiperidino)-2-keto-1-methyl-3H-1,4-benzodiazepin-3-yl]-3-(m-tolyl)urea Formula: C25H31N5O2 MolecularWeight: 433.54594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)N4CCCC(C4)(C)C)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)N4CCCC(C4)(C)C)C

InChI

InChI=1S/C25H31N5O2/c1-17-9-7-10-18(15-17)26-24(32)28-21-23(31)29(4)20-12-6-5-11-19(20)22(27-21)30-14-8-13-25(2,3)16-30/h5-7,9-12,15,21H,8,13-14,16H2,1-4H3,(H2,26,28,32)