1-(4-nitrophenyl)-2-[3-(4-phenylpiperazin-1-yl)propyl]isoquinolin-3-one

Systemtic Name: 1-(4-nitrophenyl)-2-[3-(4-phenylpiperazin-1-yl)propyl]isoquinolin-3-one Openeye Name: 1-(4-nitrophenyl)-2-[3-(4-phenylpiperazin-1-yl)propyl]isoquinolin-3-one CAS Name: 1-(4-nitrophenyl)-2-[3-(4-phenyl-1-piperazinyl)propyl]-3-isoquinolinone IUPAC Name: 1-(4-nitrophenyl)-2-[3-(4-phenylpiperazin-1-yl)propyl]isoquinolin-3-one Traditional Name: 1-(4-nitrophenyl)-2-[3-(4-phenylpiperazino)propyl]-3-isoquinolone Formula: C28H28N4O3 MolecularWeight: 468.54692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCN2C(=O)C=C3C=CC=CC3=C2C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CCCN2C(=O)C=C3C=CC=CC3=C2C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C28H28N4O3/c33-27-21-23-7-4-5-10-26(23)28(22-11-13-25(14-12-22)32(34)35)31(27)16-6-15-29-17-19-30(20-18-29)24-8-2-1-3-9-24/h1-5,7-14,21H,6,15-20H2