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

Systemtic Name: 1-[5-[4-(4-cyanophenyl)piperidin-1-yl]carbonyl-2-methyl-phenyl]-3-(pyridin-4-ylmethyl)urea Openeye Name: 1-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methyl-phenyl]-3-(4-pyridylmethyl)urea CAS Name: 1-[5-[[4-(4-cyanophenyl)-1-piperidinyl]-oxomethyl]-2-methylphenyl]-3-(pyridin-4-ylmethyl)urea IUPAC Name: 1-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-(pyridin-4-ylmethyl)urea Traditional Name: 1-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methyl-phenyl]-3-(4-pyridylmethyl)urea Formula: C27H27N5O2 MolecularWeight: 453.53558

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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=NC=C4

Isomeric SMILES

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

InChI

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