N-[2-(4-ethylpiperazin-1-yl)ethyl]-4-(4-methylphenyl)-1-oxidanylidene-isochromene-3-carboxamide

Systemtic Name: N-[2-(4-ethylpiperazin-1-yl)ethyl]-4-(4-methylphenyl)-1-oxidanylidene-isochromene-3-carboxamide Openeye Name: N-[2-(4-ethylpiperazin-1-yl)ethyl]-1-oxo-4-(p-tolyl)isochromene-3-carboxamide CAS Name: N-[2-(4-ethyl-1-piperazinyl)ethyl]-4-(4-methylphenyl)-1-oxo-2-benzopyran-3-carboxamide IUPAC Name: N-[2-(4-ethylpiperazin-1-yl)ethyl]-4-(4-methylphenyl)-1-oxoisochromene-3-carboxamide Traditional Name: N-[2-(4-ethylpiperazino)ethyl]-1-keto-4-(p-tolyl)isochromene-3-carboxamide Formula: C25H29N3O3 MolecularWeight: 419.51606

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CCNC(=O)C2=C(C3=CC=CC=C3C(=O)O2)C4=CC=C(C=C4)C

Isomeric SMILES

CCN1CCN(CC1)CCNC(=O)C2=C(C3=CC=CC=C3C(=O)O2)C4=CC=C(C=C4)C

InChI

InChI=1S/C25H29N3O3/c1-3-27-14-16-28(17-15-27)13-12-26-24(29)23-22(19-10-8-18(2)9-11-19)20-6-4-5-7-21(20)25(30)31-23/h4-11H,3,12-17H2,1-2H3,(H,26,29)