N-[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]-3-(1-phenylpyrazol-4-yl)propanamide

Systemtic Name: N-[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]-3-(1-phenylpyrazol-4-yl)propanamide Openeye Name: N-[4-(4-benzylpiperazin-1-yl)phenyl]-3-(1-phenylpyrazol-4-yl)propanamide CAS Name: N-[4-[4-(phenylmethyl)-1-piperazinyl]phenyl]-3-(1-phenyl-4-pyrazolyl)propanamide IUPAC Name: N-[4-(4-benzylpiperazin-1-yl)phenyl]-3-(1-phenylpyrazol-4-yl)propanamide Traditional Name: N-[4-(4-benzylpiperazino)phenyl]-3-(1-phenylpyrazol-4-yl)propionamide Formula: C29H31N5O MolecularWeight: 465.58934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)CCC4=CN(N=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)CCC4=CN(N=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H31N5O/c35-29(16-11-25-21-30-34(23-25)28-9-5-2-6-10-28)31-26-12-14-27(15-13-26)33-19-17-32(18-20-33)22-24-7-3-1-4-8-24/h1-10,12-15,21,23H,11,16-20,22H2,(H,31,35)