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

Systemtic Name: 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-1-(4-nitrophenyl)isoquinolin-3-one Openeye Name: 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-1-(4-nitrophenyl)isoquinolin-3-one CAS Name: 2-[3-[4-(3-chlorophenyl)-1-piperazinyl]propyl]-1-(4-nitrophenyl)-3-isoquinolinone IUPAC Name: 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-1-(4-nitrophenyl)isoquinolin-3-one Traditional Name: 2-[3-[4-(3-chlorophenyl)piperazino]propyl]-1-(4-nitrophenyl)-3-isoquinolone Formula: C28H27ClN4O3 MolecularWeight: 502.99198

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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C28H27ClN4O3/c29-23-6-3-7-25(20-23)31-17-15-30(16-18-31)13-4-14-32-27(34)19-22-5-1-2-8-26(22)28(32)21-9-11-24(12-10-21)33(35)36/h1-3,5-12,19-20H,4,13-18H2