(3R,6S)-3-methyl-2-[(4-methylpiperazin-1-yl)-phenyl-methyl]-6-propan-2-yl-cyclohexan-1-one

Systemtic Name: (3R,6S)-3-methyl-2-[(4-methylpiperazin-1-yl)-phenyl-methyl]-6-propan-2-yl-cyclohexan-1-one Openeye Name: (3R,6S)-6-isopropyl-3-methyl-2-[(4-methylpiperazin-1-yl)-phenyl-methyl]cyclohexanone CAS Name: (3R,6S)-3-methyl-2-[(4-methyl-1-piperazinyl)-phenylmethyl]-6-propan-2-yl-1-cyclohexanone IUPAC Name: (3R,6S)-3-methyl-2-[(4-methylpiperazin-1-yl)-phenylmethyl]-6-propan-2-ylcyclohexan-1-one Traditional Name: (3R,6S)-6-isopropyl-3-methyl-2-[(4-methylpiperazino)-phenyl-methyl]cyclohexanone Formula: C22H34N2O MolecularWeight: 342.51816

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(=O)C1C(C2=CC=CC=C2)N3CCN(CC3)C)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H](C(=O)C1C(C2=CC=CC=C2)N3CCN(CC3)C)C(C)C

InChI

InChI=1S/C22H34N2O/c1-16(2)19-11-10-17(3)20(22(19)25)21(18-8-6-5-7-9-18)24-14-12-23(4)13-15-24/h5-9,16-17,19-21H,10-15H2,1-4H3/t17-,19+,20?,21?/m1/s1