(7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 1-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylate

Systemtic Name: (7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 1-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylate Openeye Name: (7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 1-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylate CAS Name: 1-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylic acid (7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester IUPAC Name: (7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 1-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylate Traditional Name: 1-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylic acid (4-keto-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C23H21N4O3+ MolecularWeight: 401.43784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+]2=C(C=C1)NC(=CC2=O)COC(=O)C3=NN(C4=C3CCC4)C5=CC=CC=C5

Isomeric SMILES

CC1=C[N+]2=C(C=C1)NC(=CC2=O)COC(=O)C3=NN(C4=C3CCC4)C5=CC=CC=C5

InChI

InChI=1S/C23H20N4O3/c1-15-10-11-20-24-16(12-21(28)26(20)13-15)14-30-23(29)22-18-8-5-9-19(18)27(25-22)17-6-3-2-4-7-17/h2-4,6-7,10-13H,5,8-9,14H2,1H3/p+1