3-(4-chlorophenyl)-1-(3-cyanophenyl)-1-[3-[4-(phenylmethyl)piperidin-1-yl]propyl]urea

Systemtic Name: 3-(4-chlorophenyl)-1-(3-cyanophenyl)-1-[3-[4-(phenylmethyl)piperidin-1-yl]propyl]urea Openeye Name: 1-[3-(4-benzyl-1-piperidyl)propyl]-3-(4-chlorophenyl)-1-(3-cyanophenyl)urea CAS Name: 3-(4-chlorophenyl)-1-(3-cyanophenyl)-1-[3-[4-(phenylmethyl)-1-piperidinyl]propyl]urea IUPAC Name: 1-[3-(4-benzylpiperidin-1-yl)propyl]-3-(4-chlorophenyl)-1-(3-cyanophenyl)urea Traditional Name: 1-[3-(4-benzylpiperidino)propyl]-3-(4-chlorophenyl)-1-(3-cyanophenyl)urea Formula: C29H31ClN4O MolecularWeight: 487.03564

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)CCCN(C3=CC=CC(=C3)C#N)C(=O)NC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)CCCN(C3=CC=CC(=C3)C#N)C(=O)NC4=CC=C(C=C4)Cl

InChI

InChI=1S/C29H31ClN4O/c30-26-10-12-27(13-11-26)32-29(35)34(28-9-4-8-25(21-28)22-31)17-5-16-33-18-14-24(15-19-33)20-23-6-2-1-3-7-23/h1-4,6-13,21,24H,5,14-20H2,(H,32,35)