4-(4-ethylphenyl)-2-(2-nitro-5-piperidin-1-yl-phenyl)phthalazin-1-one

Systemtic Name: 4-(4-ethylphenyl)-2-(2-nitro-5-piperidin-1-yl-phenyl)phthalazin-1-one Openeye Name: 4-(4-ethylphenyl)-2-[2-nitro-5-(1-piperidyl)phenyl]phthalazin-1-one CAS Name: 4-(4-ethylphenyl)-2-[2-nitro-5-(1-piperidinyl)phenyl]-1-phthalazinone IUPAC Name: 4-(4-ethylphenyl)-2-(2-nitro-5-piperidin-1-ylphenyl)phthalazin-1-one Traditional Name: 4-(4-ethylphenyl)-2-(2-nitro-5-piperidino-phenyl)phthalazin-1-one Formula: C27H26N4O3 MolecularWeight: 454.52034

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C4=C(C=CC(=C4)N5CCCCC5)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C4=C(C=CC(=C4)N5CCCCC5)[N+](=O)[O-]

InChI

InChI=1S/C27H26N4O3/c1-2-19-10-12-20(13-11-19)26-22-8-4-5-9-23(22)27(32)30(28-26)25-18-21(14-15-24(25)31(33)34)29-16-6-3-7-17-29/h4-5,8-15,18H,2-3,6-7,16-17H2,1H3