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

Systemtic Name: 1-(3-methylphenyl)-3-[5-(1-methylpiperidin-4-yl)-1-(2-methylpropyl)-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]urea Openeye Name: 1-[1-isobutyl-5-(1-methyl-4-piperidyl)-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-(m-tolyl)urea CAS Name: 1-(3-methylphenyl)-3-[5-(1-methyl-4-piperidinyl)-1-(2-methylpropyl)-2-oxo-3H-1,4-benzodiazepin-3-yl]urea IUPAC Name: 1-(3-methylphenyl)-3-[5-(1-methylpiperidin-4-yl)-1-(2-methylpropyl)-2-oxo-3H-1,4-benzodiazepin-3-yl]urea Traditional Name: 1-[1-isobutyl-2-keto-5-(1-methyl-4-piperidyl)-3H-1,4-benzodiazepin-3-yl]-3-(m-tolyl)urea Formula: C27H35N5O2 MolecularWeight: 461.5991

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4CCN(CC4)C)CC(C)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4CCN(CC4)C)CC(C)C

InChI

InChI=1S/C27H35N5O2/c1-18(2)17-32-23-11-6-5-10-22(23)24(20-12-14-31(4)15-13-20)29-25(26(32)33)30-27(34)28-21-9-7-8-19(3)16-21/h5-11,16,18,20,25H,12-15,17H2,1-4H3,(H2,28,30,34)