N-ethyl-1-oxidanylidene-N-[(4-phenylmethoxyphenyl)methyl]-2H-isoquinoline-3-carboxamide

Systemtic Name: N-ethyl-1-oxidanylidene-N-[(4-phenylmethoxyphenyl)methyl]-2H-isoquinoline-3-carboxamide Openeye Name: N-[(4-benzyloxyphenyl)methyl]-N-ethyl-1-oxo-2H-isoquinoline-3-carboxamide CAS Name: N-ethyl-1-oxo-N-[(4-phenylmethoxyphenyl)methyl]-2H-isoquinoline-3-carboxamide IUPAC Name: N-ethyl-1-oxo-N-[(4-phenylmethoxyphenyl)methyl]-2H-isoquinoline-3-carboxamide Traditional Name: N-(4-benzoxybenzyl)-N-ethyl-1-keto-2H-isoquinoline-3-carboxamide Formula: C26H24N2O3 MolecularWeight: 412.48036

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)C3=CC4=CC=CC=C4C(=O)N3

Isomeric SMILES

CCN(CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)C3=CC4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C26H24N2O3/c1-2-28(26(30)24-16-21-10-6-7-11-23(21)25(29)27-24)17-19-12-14-22(15-13-19)31-18-20-8-4-3-5-9-20/h3-16H,2,17-18H2,1H3,(H,27,29)