1-[5-[4-(4-cyanophenyl)piperidin-1-yl]carbonyl-2-methyl-phenyl]-3-(phenylmethyl)urea

Systemtic Name: 1-[5-[4-(4-cyanophenyl)piperidin-1-yl]carbonyl-2-methyl-phenyl]-3-(phenylmethyl)urea Openeye Name: 1-benzyl-3-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methyl-phenyl]urea CAS Name: 1-[5-[[4-(4-cyanophenyl)-1-piperidinyl]-oxomethyl]-2-methylphenyl]-3-(phenylmethyl)urea IUPAC Name: 1-benzyl-3-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]urea Traditional Name: 1-benzyl-3-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methyl-phenyl]urea Formula: C28H28N4O2 MolecularWeight: 452.54752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCC(CC2)C3=CC=C(C=C3)C#N)NC(=O)NCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCC(CC2)C3=CC=C(C=C3)C#N)NC(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C28H28N4O2/c1-20-7-10-25(17-26(20)31-28(34)30-19-22-5-3-2-4-6-22)27(33)32-15-13-24(14-16-32)23-11-8-21(18-29)9-12-23/h2-12,17,24H,13-16,19H2,1H3,(H2,30,31,34)