1-[3-[4-(4-cyanophenyl)piperidin-1-yl]carbonyl-4-methyl-phenyl]-3-(pyridin-3-ylmethyl)urea

Systemtic Name: 1-[3-[4-(4-cyanophenyl)piperidin-1-yl]carbonyl-4-methyl-phenyl]-3-(pyridin-3-ylmethyl)urea Openeye Name: 1-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]-4-methyl-phenyl]-3-(3-pyridylmethyl)urea CAS Name: 1-[3-[[4-(4-cyanophenyl)-1-piperidinyl]-oxomethyl]-4-methylphenyl]-3-(3-pyridinylmethyl)urea IUPAC Name: 1-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]-4-methylphenyl]-3-(pyridin-3-ylmethyl)urea Traditional Name: 1-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]-4-methyl-phenyl]-3-(3-pyridylmethyl)urea Formula: C27H27N5O2 MolecularWeight: 453.53558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)NCC2=CN=CC=C2)C(=O)N3CCC(CC3)C4=CC=C(C=C4)C#N

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)NCC2=CN=CC=C2)C(=O)N3CCC(CC3)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C27H27N5O2/c1-19-4-9-24(31-27(34)30-18-21-3-2-12-29-17-21)15-25(19)26(33)32-13-10-23(11-14-32)22-7-5-20(16-28)6-8-22/h2-9,12,15,17,23H,10-11,13-14,18H2,1H3,(H2,30,31,34)