1-(3-cyanophenyl)-3-[5-(hydroxymethyl)-2-[[4-(phenylmethyl)piperidin-1-yl]methyl]phenyl]urea

Systemtic Name: 1-(3-cyanophenyl)-3-[5-(hydroxymethyl)-2-[[4-(phenylmethyl)piperidin-1-yl]methyl]phenyl]urea Openeye Name: 1-[2-[(4-benzyl-1-piperidyl)methyl]-5-(hydroxymethyl)phenyl]-3-(3-cyanophenyl)urea CAS Name: 1-(3-cyanophenyl)-3-[5-(hydroxymethyl)-2-[[4-(phenylmethyl)-1-piperidinyl]methyl]phenyl]urea IUPAC Name: 1-[2-[(4-benzylpiperidin-1-yl)methyl]-5-(hydroxymethyl)phenyl]-3-(3-cyanophenyl)urea Traditional Name: 1-[2-[(4-benzylpiperidino)methyl]-5-methylol-phenyl]-3-(3-cyanophenyl)urea Formula: C28H30N4O2 MolecularWeight: 454.5634

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)CC3=C(C=C(C=C3)CO)NC(=O)NC4=CC=CC(=C4)C#N

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)CC3=C(C=C(C=C3)CO)NC(=O)NC4=CC=CC(=C4)C#N

InChI

InChI=1S/C28H30N4O2/c29-18-23-7-4-8-26(16-23)30-28(34)31-27-17-24(20-33)9-10-25(27)19-32-13-11-22(12-14-32)15-21-5-2-1-3-6-21/h1-10,16-17,22,33H,11-15,19-20H2,(H2,30,31,34)