N-[(4-ethylphenyl)methyl]-1-oxidanylidene-N-(pyridin-3-ylmethyl)-3,4-dihydroisochromene-3-carboxamide

Systemtic Name: N-[(4-ethylphenyl)methyl]-1-oxidanylidene-N-(pyridin-3-ylmethyl)-3,4-dihydroisochromene-3-carboxamide Openeye Name: N-[(4-ethylphenyl)methyl]-1-oxo-N-(3-pyridylmethyl)isochromane-3-carboxamide CAS Name: N-[(4-ethylphenyl)methyl]-1-oxo-N-(3-pyridinylmethyl)-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: N-[(4-ethylphenyl)methyl]-1-oxo-N-(pyridin-3-ylmethyl)-3,4-dihydroisochromene-3-carboxamide Traditional Name: N-(4-ethylbenzyl)-1-keto-N-(3-pyridylmethyl)isochroman-3-carboxamide Formula: C25H24N2O3 MolecularWeight: 400.46966

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CN(CC2=CN=CC=C2)C(=O)C3CC4=CC=CC=C4C(=O)O3

Isomeric SMILES

CCC1=CC=C(C=C1)CN(CC2=CN=CC=C2)C(=O)C3CC4=CC=CC=C4C(=O)O3

InChI

InChI=1S/C25H24N2O3/c1-2-18-9-11-19(12-10-18)16-27(17-20-6-5-13-26-15-20)24(28)23-14-21-7-3-4-8-22(21)25(29)30-23/h3-13,15,23H,2,14,16-17H2,1H3