2-[4-(4-butylpiperazin-1-yl)butyl]-5-chloranyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Systemtic Name: 2-[4-(4-butylpiperazin-1-yl)butyl]-5-chloranyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: 2-[4-(4-butylpiperazin-1-yl)butyl]-5-chloro-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: 2-[4-(4-butyl-1-piperazinyl)butyl]-5-chloro-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: 2-[4-(4-butylpiperazin-1-yl)butyl]-5-chloro-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: 2-[4-(4-butylpiperazino)butyl]-5-chloro-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C20H32ClN3O2 MolecularWeight: 381.93998

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCN(CC1)CCCCN2C(=O)C3CC=C(CC3C2=O)Cl

Isomeric SMILES

CCCCN1CCN(CC1)CCCCN2C(=O)C3CC=C(CC3C2=O)Cl

InChI

InChI=1S/C20H32ClN3O2/c1-2-3-8-22-11-13-23(14-12-22)9-4-5-10-24-19(25)17-7-6-16(21)15-18(17)20(24)26/h6,17-18H,2-5,7-15H2,1H3