3-(4-methylphenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]-2,1-benzoxazole-5-carboxamide

Systemtic Name: 3-(4-methylphenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]-2,1-benzoxazole-5-carboxamide Openeye Name: N-[3-(4-phenylpiperazin-1-yl)propyl]-3-(p-tolyl)-2,1-benzoxazole-5-carboxamide CAS Name: 3-(4-methylphenyl)-N-[3-(4-phenyl-1-piperazinyl)propyl]-2,1-benzoxazole-5-carboxamide IUPAC Name: 3-(4-methylphenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]-2,1-benzoxazole-5-carboxamide Traditional Name: N-[3-(4-phenylpiperazino)propyl]-3-(p-tolyl)anthranil-5-carboxamide Formula: C28H30N4O2 MolecularWeight: 454.5634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C3C=C(C=CC3=NO2)C(=O)NCCCN4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=C3C=C(C=CC3=NO2)C(=O)NCCCN4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C28H30N4O2/c1-21-8-10-22(11-9-21)27-25-20-23(12-13-26(25)30-34-27)28(33)29-14-5-15-31-16-18-32(19-17-31)24-6-3-2-4-7-24/h2-4,6-13,20H,5,14-19H2,1H3,(H,29,33)