4-(3,4-diethoxyphenyl)-2-[4-[4-(5-nitropyridin-2-yl)piperazin-1-yl]carbonylphenyl]-4a,5,8,8a-tetrahydrophthalazin-1-one

Systemtic Name: 4-(3,4-diethoxyphenyl)-2-[4-[4-(5-nitropyridin-2-yl)piperazin-1-yl]carbonylphenyl]-4a,5,8,8a-tetrahydrophthalazin-1-one Openeye Name: 4-(3,4-diethoxyphenyl)-2-[4-[4-(5-nitro-2-pyridyl)piperazine-1-carbonyl]phenyl]-4a,5,8,8a-tetrahydrophthalazin-1-one CAS Name: 4-(3,4-diethoxyphenyl)-2-[4-[[4-(5-nitro-2-pyridinyl)-1-piperazinyl]-oxomethyl]phenyl]-4a,5,8,8a-tetrahydrophthalazin-1-one IUPAC Name: 4-(3,4-diethoxyphenyl)-2-[4-[4-(5-nitropyridin-2-yl)piperazine-1-carbonyl]phenyl]-4a,5,8,8a-tetrahydrophthalazin-1-one Traditional Name: 4-(3,4-diethoxyphenyl)-2-[4-[4-(5-nitro-2-pyridyl)piperazine-1-carbonyl]phenyl]-4a,5,8,8a-tetrahydrophthalazin-1-one Formula: C34H36N6O6 MolecularWeight: 624.68624

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)C4=CC=C(C=C4)C(=O)N5CCN(CC5)C6=NC=C(C=C6)[N+](=O)[O-])OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)C4=CC=C(C=C4)C(=O)N5CCN(CC5)C6=NC=C(C=C6)[N+](=O)[O-])OCC

InChI

InChI=1S/C34H36N6O6/c1-3-45-29-15-11-24(21-30(29)46-4-2)32-27-7-5-6-8-28(27)34(42)39(36-32)25-12-9-23(10-13-25)33(41)38-19-17-37(18-20-38)31-16-14-26(22-35-31)40(43)44/h5-6,9-16,21-22,27-28H,3-4,7-8,17-20H2,1-2H3