[4-[[4-(4-methoxy-3-nitro-phenyl)phthalazin-1-yl]amino]phenyl]-piperidin-1-yl-methanone

Systemtic Name: [4-[[4-(4-methoxy-3-nitro-phenyl)phthalazin-1-yl]amino]phenyl]-piperidin-1-yl-methanone Openeye Name: [4-[[4-(4-methoxy-3-nitro-phenyl)phthalazin-1-yl]amino]phenyl]-(1-piperidyl)methanone CAS Name: [4-[[4-(4-methoxy-3-nitrophenyl)-1-phthalazinyl]amino]phenyl]-(1-piperidinyl)methanone IUPAC Name: [4-[[4-(4-methoxy-3-nitrophenyl)phthalazin-1-yl]amino]phenyl]-piperidin-1-ylmethanone Traditional Name: [4-[[4-(4-methoxy-3-nitro-phenyl)phthalazin-1-yl]amino]phenyl]-piperidino-methanone Formula: C27H25N5O4 MolecularWeight: 483.5185

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)C(=O)N5CCCCC5)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)C(=O)N5CCCCC5)[N+](=O)[O-]

InChI

InChI=1S/C27H25N5O4/c1-36-24-14-11-19(17-23(24)32(34)35)25-21-7-3-4-8-22(21)26(30-29-25)28-20-12-9-18(10-13-20)27(33)31-15-5-2-6-16-31/h3-4,7-14,17H,2,5-6,15-16H2,1H3,(H,28,30)