1-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-3-(2-methoxy-5-methyl-phenyl)-1-(2-pyrrolidin-1-ylethyl)urea

Systemtic Name: 1-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-3-(2-methoxy-5-methyl-phenyl)-1-(2-pyrrolidin-1-ylethyl)urea Openeye Name: 1-[1-[(3-cyanophenyl)methyl]-4-piperidyl]-3-(2-methoxy-5-methyl-phenyl)-1-(2-pyrrolidin-1-ylethyl)urea CAS Name: 1-[1-[(3-cyanophenyl)methyl]-4-piperidinyl]-3-(2-methoxy-5-methylphenyl)-1-[2-(1-pyrrolidinyl)ethyl]urea IUPAC Name: 1-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-3-(2-methoxy-5-methylphenyl)-1-(2-pyrrolidin-1-ylethyl)urea Traditional Name: 1-[1-(3-cyanobenzyl)-4-piperidyl]-3-(2-methoxy-5-methyl-phenyl)-1-(2-pyrrolidinoethyl)urea Formula: C28H37N5O2 MolecularWeight: 475.62568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)N(CCN2CCCC2)C3CCN(CC3)CC4=CC=CC(=C4)C#N

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)N(CCN2CCCC2)C3CCN(CC3)CC4=CC=CC(=C4)C#N

InChI

InChI=1S/C28H37N5O2/c1-22-8-9-27(35-2)26(18-22)30-28(34)33(17-16-31-12-3-4-13-31)25-10-14-32(15-11-25)21-24-7-5-6-23(19-24)20-29/h5-9,18-19,25H,3-4,10-17,21H2,1-2H3,(H,30,34)