3-[2-[(3R)-3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]-7-nitro-quinazolin-4-one

Systemtic Name: 3-[2-[(3R)-3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]-7-nitro-quinazolin-4-one Openeye Name: 3-[2-[(3R)-3-(3,4-dimethoxyphenyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl]-7-nitro-quinazolin-4-one CAS Name: 3-[2-[(3R)-3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-7-nitro-4-quinazolinone IUPAC Name: 3-[2-[(3R)-3-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-7-nitroquinazolin-4-one Traditional Name: 3-[2-[(5R)-5-(3,4-dimethoxyphenyl)-3-(2-thienyl)-2-pyrazolin-1-yl]-2-keto-ethyl]-7-nitro-quinazolin-4-one Formula: C25H21N5O6S MolecularWeight: 519.52914

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CC(=NN2C(=O)CN3C=NC4=C(C3=O)C=CC(=C4)[N+](=O)[O-])C5=CC=CS5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@H]2CC(=NN2C(=O)CN3C=NC4=C(C3=O)C=CC(=C4)[N+](=O)[O-])C5=CC=CS5)OC

InChI

InChI=1S/C25H21N5O6S/c1-35-21-8-5-15(10-22(21)36-2)20-12-19(23-4-3-9-37-23)27-29(20)24(31)13-28-14-26-18-11-16(30(33)34)6-7-17(18)25(28)32/h3-11,14,20H,12-13H2,1-2H3/t20-/m1/s1