N-[4-(4-ethylpiperazin-1-yl)phenyl]-3-oxidanylidene-2-(pyridin-3-ylmethyl)-1H-isoindole-4-carboxamide

Systemtic Name: N-[4-(4-ethylpiperazin-1-yl)phenyl]-3-oxidanylidene-2-(pyridin-3-ylmethyl)-1H-isoindole-4-carboxamide Openeye Name: N-[4-(4-ethylpiperazin-1-yl)phenyl]-3-oxo-2-(3-pyridylmethyl)isoindoline-4-carboxamide CAS Name: N-[4-(4-ethyl-1-piperazinyl)phenyl]-3-oxo-2-(3-pyridinylmethyl)-1H-isoindole-4-carboxamide IUPAC Name: N-[4-(4-ethylpiperazin-1-yl)phenyl]-3-oxo-2-(pyridin-3-ylmethyl)-1H-isoindole-4-carboxamide Traditional Name: N-[4-(4-ethylpiperazino)phenyl]-3-keto-2-(3-pyridylmethyl)isoindoline-4-carboxamide Formula: C27H29N5O2 MolecularWeight: 455.55146

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=C4C(=CC=C3)CN(C4=O)CC5=CN=CC=C5

Isomeric SMILES

CCN1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=C4C(=CC=C3)CN(C4=O)CC5=CN=CC=C5

InChI

InChI=1S/C27H29N5O2/c1-2-30-13-15-31(16-14-30)23-10-8-22(9-11-23)29-26(33)24-7-3-6-21-19-32(27(34)25(21)24)18-20-5-4-12-28-17-20/h3-12,17H,2,13-16,18-19H2,1H3,(H,29,33)