7-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]carbonyl-2-propyl-3H-isoindol-1-one

Systemtic Name: 7-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]carbonyl-2-propyl-3H-isoindol-1-one Openeye Name: 7-[4-(5-chloro-2-methyl-phenyl)piperazine-1-carbonyl]-2-propyl-isoindolin-1-one CAS Name: 7-[[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-oxomethyl]-2-propyl-3H-isoindol-1-one IUPAC Name: 7-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-2-propyl-3H-isoindol-1-one Traditional Name: 7-[4-(5-chloro-2-methyl-phenyl)piperazine-1-carbonyl]-2-propyl-isoindolin-1-one Formula: C23H26ClN3O2 MolecularWeight: 411.92444

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CC2=CC=CC(=C2C1=O)C(=O)N3CCN(CC3)C4=C(C=CC(=C4)Cl)C

Isomeric SMILES

CCCN1CC2=CC=CC(=C2C1=O)C(=O)N3CCN(CC3)C4=C(C=CC(=C4)Cl)C

InChI

InChI=1S/C23H26ClN3O2/c1-3-9-27-15-17-5-4-6-19(21(17)23(27)29)22(28)26-12-10-25(11-13-26)20-14-18(24)8-7-16(20)2/h4-8,14H,3,9-13,15H2,1-2H3