N-cyclohexyl-3-oxidanylidene-2-(pyridin-4-ylmethyl)-1H-isoindole-4-carboxamide

Systemtic Name: N-cyclohexyl-3-oxidanylidene-2-(pyridin-4-ylmethyl)-1H-isoindole-4-carboxamide Openeye Name: N-cyclohexyl-3-oxo-2-(4-pyridylmethyl)isoindoline-4-carboxamide CAS Name: N-cyclohexyl-3-oxo-2-(pyridin-4-ylmethyl)-1H-isoindole-4-carboxamide IUPAC Name: N-cyclohexyl-3-oxo-2-(pyridin-4-ylmethyl)-1H-isoindole-4-carboxamide Traditional Name: N-cyclohexyl-3-keto-2-(4-pyridylmethyl)isoindoline-4-carboxamide Formula: C21H23N3O2 MolecularWeight: 349.42622

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C2=C3C(=CC=C2)CN(C3=O)CC4=CC=NC=C4

Isomeric SMILES

C1CCC(CC1)NC(=O)C2=C3C(=CC=C2)CN(C3=O)CC4=CC=NC=C4

InChI

InChI=1S/C21H23N3O2/c25-20(23-17-6-2-1-3-7-17)18-8-4-5-16-14-24(21(26)19(16)18)13-15-9-11-22-12-10-15/h4-5,8-12,17H,1-3,6-7,13-14H2,(H,23,25)