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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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