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

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

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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

Isomeric SMILES

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

InChI

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