[4-[4-(4-methylphenyl)phthalazin-1-yl]piperazin-1-yl]-(4-nitrophenyl)methanone

Systemtic Name: [4-[4-(4-methylphenyl)phthalazin-1-yl]piperazin-1-yl]-(4-nitrophenyl)methanone Openeye Name: (4-nitrophenyl)-[4-[4-(p-tolyl)phthalazin-1-yl]piperazin-1-yl]methanone CAS Name: [4-[4-(4-methylphenyl)-1-phthalazinyl]-1-piperazinyl]-(4-nitrophenyl)methanone IUPAC Name: [4-[4-(4-methylphenyl)phthalazin-1-yl]piperazin-1-yl]-(4-nitrophenyl)methanone Traditional Name: (4-nitrophenyl)-[4-[4-(p-tolyl)phthalazin-1-yl]piperazino]methanone Formula: C26H23N5O3 MolecularWeight: 453.49252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)N4CCN(CC4)C(=O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)N4CCN(CC4)C(=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C26H23N5O3/c1-18-6-8-19(9-7-18)24-22-4-2-3-5-23(22)25(28-27-24)29-14-16-30(17-15-29)26(32)20-10-12-21(13-11-20)31(33)34/h2-13H,14-17H2,1H3