methyl 1-oxidanylidene-2-[(E)-3-phenylpropylideneamino]isoquinoline-4-carboxylate

Systemtic Name: methyl 1-oxidanylidene-2-[(E)-3-phenylpropylideneamino]isoquinoline-4-carboxylate Openeye Name: methyl 1-oxo-2-[(E)-3-phenylpropylideneamino]isoquinoline-4-carboxylate CAS Name: 1-oxo-2-[(E)-3-phenylpropylideneamino]-4-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 1-oxo-2-[(E)-3-phenylpropylideneamino]isoquinoline-4-carboxylate Traditional Name: 1-keto-2-[(E)-3-phenylpropylideneamino]isoquinoline-4-carboxylic acid methyl ester Formula: C20H18N2O3 MolecularWeight: 334.36852

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C(=O)C2=CC=CC=C21)N=CCCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CN(C(=O)C2=CC=CC=C21)/N=C/CCC3=CC=CC=C3

InChI

InChI=1S/C20H18N2O3/c1-25-20(24)18-14-22(19(23)17-12-6-5-11-16(17)18)21-13-7-10-15-8-3-2-4-9-15/h2-6,8-9,11-14H,7,10H2,1H3/b21-13+