2-[2-nitro-5-(4-thiophen-2-ylcarbonylpiperazin-1-yl)phenyl]-4-phenyl-phthalazin-1-one

Systemtic Name: 2-[2-nitro-5-(4-thiophen-2-ylcarbonylpiperazin-1-yl)phenyl]-4-phenyl-phthalazin-1-one Openeye Name: 2-[2-nitro-5-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]-4-phenyl-phthalazin-1-one CAS Name: 2-[2-nitro-5-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]phenyl]-4-phenyl-1-phthalazinone IUPAC Name: 2-[2-nitro-5-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]-4-phenylphthalazin-1-one Traditional Name: 2-[2-nitro-5-[4-(2-thenoyl)piperazino]phenyl]-4-phenyl-phthalazin-1-one Formula: C29H23N5O4S MolecularWeight: 537.58902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])N3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CC=C5)C(=O)C6=CC=CS6

Isomeric SMILES

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])N3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CC=C5)C(=O)C6=CC=CS6

InChI

InChI=1S/C29H23N5O4S/c35-28-23-10-5-4-9-22(23)27(20-7-2-1-3-8-20)30-33(28)25-19-21(12-13-24(25)34(37)38)31-14-16-32(17-15-31)29(36)26-11-6-18-39-26/h1-13,18-19H,14-17H2