methyl 3-[[4-(1H-pyrazol-4-yl)phenyl]carbamoyl]-3,4-dihydro-2H-chromene-6-carboxylate

Systemtic Name: methyl 3-[[4-(1H-pyrazol-4-yl)phenyl]carbamoyl]-3,4-dihydro-2H-chromene-6-carboxylate Openeye Name: methyl 3-[[4-(1H-pyrazol-4-yl)phenyl]carbamoyl]chromane-6-carboxylate CAS Name: 3-[oxo-[4-(1H-pyrazol-4-yl)anilino]methyl]-3,4-dihydro-2H-1-benzopyran-6-carboxylic acid methyl ester IUPAC Name: methyl 3-[[4-(1H-pyrazol-4-yl)phenyl]carbamoyl]-3,4-dihydro-2H-chromene-6-carboxylate Traditional Name: 3-[[4-(1H-pyrazol-4-yl)phenyl]carbamoyl]chroman-6-carboxylic acid methyl ester Formula: C21H19N3O4 MolecularWeight: 377.39326

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)OCC(C2)C(=O)NC3=CC=C(C=C3)C4=CNN=C4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)OCC(C2)C(=O)NC3=CC=C(C=C3)C4=CNN=C4

InChI

InChI=1S/C21H19N3O4/c1-27-21(26)14-4-7-19-15(8-14)9-16(12-28-19)20(25)24-18-5-2-13(3-6-18)17-10-22-23-11-17/h2-8,10-11,16H,9,12H2,1H3,(H,22,23)(H,24,25)