3-[2-(4-hexylpiperazin-1-yl)-2-oxidanylidene-ethyl]-5,6-dimethyl-2-phenyl-3H-isoindol-1-one

Systemtic Name: 3-[2-(4-hexylpiperazin-1-yl)-2-oxidanylidene-ethyl]-5,6-dimethyl-2-phenyl-3H-isoindol-1-one Openeye Name: 3-[2-(4-hexylpiperazin-1-yl)-2-oxo-ethyl]-5,6-dimethyl-2-phenyl-isoindolin-1-one CAS Name: 3-[2-(4-hexyl-1-piperazinyl)-2-oxoethyl]-5,6-dimethyl-2-phenyl-3H-isoindol-1-one IUPAC Name: 3-[2-(4-hexylpiperazin-1-yl)-2-oxoethyl]-5,6-dimethyl-2-phenyl-3H-isoindol-1-one Traditional Name: 3-[2-(4-hexylpiperazino)-2-keto-ethyl]-5,6-dimethyl-2-phenyl-isoindolin-1-one Formula: C28H37N3O2 MolecularWeight: 447.61228

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1CCN(CC1)C(=O)CC2C3=CC(=C(C=C3C(=O)N2C4=CC=CC=C4)C)C

Isomeric SMILES

CCCCCCN1CCN(CC1)C(=O)CC2C3=CC(=C(C=C3C(=O)N2C4=CC=CC=C4)C)C

InChI

InChI=1S/C28H37N3O2/c1-4-5-6-10-13-29-14-16-30(17-15-29)27(32)20-26-24-18-21(2)22(3)19-25(24)28(33)31(26)23-11-8-7-9-12-23/h7-9,11-12,18-19,26H,4-6,10,13-17,20H2,1-3H3