4-(3-chloranyl-4-propan-2-yl-phenyl)-1-(4-methylpiperazin-1-yl)butan-1-one

Systemtic Name: 4-(3-chloranyl-4-propan-2-yl-phenyl)-1-(4-methylpiperazin-1-yl)butan-1-one Openeye Name: 4-(3-chloro-4-isopropyl-phenyl)-1-(4-methylpiperazin-1-yl)butan-1-one CAS Name: 4-(3-chloro-4-propan-2-ylphenyl)-1-(4-methyl-1-piperazinyl)-1-butanone IUPAC Name: 4-(3-chloro-4-propan-2-ylphenyl)-1-(4-methylpiperazin-1-yl)butan-1-one Traditional Name: 4-(3-chloro-4-isopropyl-phenyl)-1-(4-methylpiperazino)butan-1-one Formula: C18H27ClN2O MolecularWeight: 322.87278

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=C(C=C1)CCCC(=O)N2CCN(CC2)C)Cl

Isomeric SMILES

CC(C)C1=C(C=C(C=C1)CCCC(=O)N2CCN(CC2)C)Cl

InChI

InChI=1S/C18H27ClN2O/c1-14(2)16-8-7-15(13-17(16)19)5-4-6-18(22)21-11-9-20(3)10-12-21/h7-8,13-14H,4-6,9-12H2,1-3H3