1-(2-cyanoethyl)-3-(2,6-dimethylphenyl)-1-[1-(phenylmethyl)piperidin-4-yl]urea

Systemtic Name: 1-(2-cyanoethyl)-3-(2,6-dimethylphenyl)-1-[1-(phenylmethyl)piperidin-4-yl]urea Openeye Name: 1-(1-benzyl-4-piperidyl)-1-(2-cyanoethyl)-3-(2,6-dimethylphenyl)urea CAS Name: 1-(2-cyanoethyl)-3-(2,6-dimethylphenyl)-1-[1-(phenylmethyl)-4-piperidinyl]urea IUPAC Name: 1-(1-benzylpiperidin-4-yl)-1-(2-cyanoethyl)-3-(2,6-dimethylphenyl)urea Traditional Name: 1-(1-benzyl-4-piperidyl)-1-(2-cyanoethyl)-3-(2,6-dimethylphenyl)urea Formula: C24H30N4O MolecularWeight: 390.5212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)N(CCC#N)C2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)N(CCC#N)C2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C24H30N4O/c1-19-8-6-9-20(2)23(19)26-24(29)28(15-7-14-25)22-12-16-27(17-13-22)18-21-10-4-3-5-11-21/h3-6,8-11,22H,7,12-13,15-18H2,1-2H3,(H,26,29)