1-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-3-(3-ethanoylphenyl)-1-(2-pyrrolidin-1-ylethyl)urea

Systemtic Name: 1-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-3-(3-ethanoylphenyl)-1-(2-pyrrolidin-1-ylethyl)urea Openeye Name: 3-(3-acetylphenyl)-1-[1-[(3-cyanophenyl)methyl]-4-piperidyl]-1-(2-pyrrolidin-1-ylethyl)urea CAS Name: 3-(3-acetylphenyl)-1-[1-[(3-cyanophenyl)methyl]-4-piperidinyl]-1-[2-(1-pyrrolidinyl)ethyl]urea IUPAC Name: 3-(3-acetylphenyl)-1-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-1-(2-pyrrolidin-1-ylethyl)urea Traditional Name: 3-(3-acetylphenyl)-1-[1-(3-cyanobenzyl)-4-piperidyl]-1-(2-pyrrolidinoethyl)urea Formula: C28H35N5O2 MolecularWeight: 473.6098

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)N(CCN2CCCC2)C3CCN(CC3)CC4=CC=CC(=C4)C#N

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)N(CCN2CCCC2)C3CCN(CC3)CC4=CC=CC(=C4)C#N

InChI

InChI=1S/C28H35N5O2/c1-22(34)25-8-5-9-26(19-25)30-28(35)33(17-16-31-12-2-3-13-31)27-10-14-32(15-11-27)21-24-7-4-6-23(18-24)20-29/h4-9,18-19,27H,2-3,10-17,21H2,1H3,(H,30,35)