diethyl 8-chloranyl-5-oxidanylidene-9-[(phenylmethyl)carbamoylamino]-3H-pyrazolo[1,5-c]quinazoline-1,2-dicarboxylate

Systemtic Name: diethyl 8-chloranyl-5-oxidanylidene-9-[(phenylmethyl)carbamoylamino]-3H-pyrazolo[1,5-c]quinazoline-1,2-dicarboxylate Openeye Name: diethyl 9-(benzylcarbamoylamino)-8-chloro-5-oxo-3H-pyrazolo[1,5-c]quinazoline-1,2-dicarboxylate CAS Name: 8-chloro-5-oxo-9-[[oxo-[(phenylmethyl)amino]methyl]amino]-3H-pyrazolo[1,5-c]quinazoline-1,2-dicarboxylic acid diethyl ester IUPAC Name: diethyl 9-(benzylcarbamoylamino)-8-chloro-5-oxo-3H-pyrazolo[1,5-c]quinazoline-1,2-dicarboxylate Traditional Name: 9-(benzylcarbamoylamino)-8-chloro-5-keto-3H-pyrazolo[1,5-c]quinazoline-1,2-dicarboxylic acid diethyl ester Formula: C24H22ClN5O6 MolecularWeight: 511.91438

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NN2C1=C3C=C(C(=CC3=NC2=O)Cl)NC(=O)NCC4=CC=CC=C4)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(NN2C1=C3C=C(C(=CC3=NC2=O)Cl)NC(=O)NCC4=CC=CC=C4)C(=O)OCC

InChI

InChI=1S/C24H22ClN5O6/c1-3-35-21(31)18-19(22(32)36-4-2)29-30-20(18)14-10-17(15(25)11-16(14)28-24(30)34)27-23(33)26-12-13-8-6-5-7-9-13/h5-11,29H,3-4,12H2,1-2H3,(H2,26,27,33)