ethyl 5-(3-methyl-4-oxidanylidene-phthalazin-1-yl)carbonyl-1-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate

Systemtic Name: ethyl 5-(3-methyl-4-oxidanylidene-phthalazin-1-yl)carbonyl-1-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate Openeye Name: ethyl 1-allyl-5-(3-methyl-4-oxo-phthalazine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate CAS Name: 5-[(3-methyl-4-oxo-1-phthalazinyl)-oxomethyl]-1-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-(3-methyl-4-oxophthalazine-1-carbonyl)-1-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate Traditional Name: 1-allyl-5-(4-keto-3-methyl-phthalazine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid ethyl ester Formula: C22H23N5O4 MolecularWeight: 421.44912

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C2=C1CN(CC2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)C)CC=C

Isomeric SMILES

CCOC(=O)C1=NN(C2=C1CN(CC2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)C)CC=C

InChI

InChI=1S/C22H23N5O4/c1-4-11-27-17-10-12-26(13-16(17)19(24-27)22(30)31-5-2)21(29)18-14-8-6-7-9-15(14)20(28)25(3)23-18/h4,6-9H,1,5,10-13H2,2-3H3