3,3-bis(2-methylphenyl)-1-(4-piperazin-1-ylcarbonylpiperidin-1-yl)propan-1-one

Systemtic Name: 3,3-bis(2-methylphenyl)-1-(4-piperazin-1-ylcarbonylpiperidin-1-yl)propan-1-one Openeye Name: 3,3-bis(o-tolyl)-1-[4-(piperazine-1-carbonyl)-1-piperidyl]propan-1-one CAS Name: 3,3-bis(2-methylphenyl)-1-[4-[oxo(1-piperazinyl)methyl]-1-piperidinyl]-1-propanone IUPAC Name: 3,3-bis(2-methylphenyl)-1-[4-(piperazine-1-carbonyl)piperidin-1-yl]propan-1-one Traditional Name: 3,3-bis(o-tolyl)-1-[4-(piperazine-1-carbonyl)piperidino]propan-1-one Formula: C27H35N3O2 MolecularWeight: 433.5857

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(CC(=O)N2CCC(CC2)C(=O)N3CCNCC3)C4=CC=CC=C4C

Isomeric SMILES

CC1=CC=CC=C1C(CC(=O)N2CCC(CC2)C(=O)N3CCNCC3)C4=CC=CC=C4C

InChI

InChI=1S/C27H35N3O2/c1-20-7-3-5-9-23(20)25(24-10-6-4-8-21(24)2)19-26(31)29-15-11-22(12-16-29)27(32)30-17-13-28-14-18-30/h3-10,22,25,28H,11-19H2,1-2H3