N-[2-(3,4-diethoxyphenyl)ethyl]-3-oxidanylidene-2-(pyridin-3-ylmethyl)-1H-isoindole-4-carboxamide

Systemtic Name: N-[2-(3,4-diethoxyphenyl)ethyl]-3-oxidanylidene-2-(pyridin-3-ylmethyl)-1H-isoindole-4-carboxamide Openeye Name: N-[2-(3,4-diethoxyphenyl)ethyl]-3-oxo-2-(3-pyridylmethyl)isoindoline-4-carboxamide CAS Name: N-[2-(3,4-diethoxyphenyl)ethyl]-3-oxo-2-(3-pyridinylmethyl)-1H-isoindole-4-carboxamide IUPAC Name: N-[2-(3,4-diethoxyphenyl)ethyl]-3-oxo-2-(pyridin-3-ylmethyl)-1H-isoindole-4-carboxamide Traditional Name: N-[2-(3,4-diethoxyphenyl)ethyl]-3-keto-2-(3-pyridylmethyl)isoindoline-4-carboxamide Formula: C27H29N3O4 MolecularWeight: 459.53686

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCNC(=O)C2=C3C(=CC=C2)CN(C3=O)CC4=CN=CC=C4)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCNC(=O)C2=C3C(=CC=C2)CN(C3=O)CC4=CN=CC=C4)OCC

InChI

InChI=1S/C27H29N3O4/c1-3-33-23-11-10-19(15-24(23)34-4-2)12-14-29-26(31)22-9-5-8-21-18-30(27(32)25(21)22)17-20-7-6-13-28-16-20/h5-11,13,15-16H,3-4,12,14,17-18H2,1-2H3,(H,29,31)