3-(3-ethanoylphenyl)-1-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]-1-(pyridin-3-ylmethyl)urea

Systemtic Name: 3-(3-ethanoylphenyl)-1-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]-1-(pyridin-3-ylmethyl)urea Openeye Name: 3-(3-acetylphenyl)-1-[1-[2-(2-pyridyl)ethyl]-4-piperidyl]-1-(3-pyridylmethyl)urea CAS Name: 3-(3-acetylphenyl)-1-[1-[2-(2-pyridinyl)ethyl]-4-piperidinyl]-1-(3-pyridinylmethyl)urea IUPAC Name: 3-(3-acetylphenyl)-1-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]-1-(pyridin-3-ylmethyl)urea Traditional Name: 3-(3-acetylphenyl)-1-[1-[2-(2-pyridyl)ethyl]-4-piperidyl]-1-(3-pyridylmethyl)urea Formula: C27H31N5O2 MolecularWeight: 457.56734

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)N(CC2=CN=CC=C2)C3CCN(CC3)CCC4=CC=CC=N4

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)N(CC2=CN=CC=C2)C3CCN(CC3)CCC4=CC=CC=N4

InChI

InChI=1S/C27H31N5O2/c1-21(33)23-7-4-9-25(18-23)30-27(34)32(20-22-6-5-13-28-19-22)26-11-16-31(17-12-26)15-10-24-8-2-3-14-29-24/h2-9,13-14,18-19,26H,10-12,15-17,20H2,1H3,(H,30,34)