1-[(3S)-3-(1,2-dihydroacenaphthylen-5-ylcarbonyl)piperidin-1-yl]-3-(1-methylpyrazol-4-yl)propan-1-one

Systemtic Name: 1-[(3S)-3-(1,2-dihydroacenaphthylen-5-ylcarbonyl)piperidin-1-yl]-3-(1-methylpyrazol-4-yl)propan-1-one Openeye Name: 1-[(3S)-3-(1,2-dihydroacenaphthylene-5-carbonyl)-1-piperidyl]-3-(1-methylpyrazol-4-yl)propan-1-one CAS Name: 1-[(3S)-3-[1,2-dihydroacenaphthylen-5-yl(oxo)methyl]-1-piperidinyl]-3-(1-methyl-4-pyrazolyl)-1-propanone IUPAC Name: 1-[(3S)-3-(1,2-dihydroacenaphthylene-5-carbonyl)piperidin-1-yl]-3-(1-methylpyrazol-4-yl)propan-1-one Traditional Name: 1-[(3S)-3-(acenaphthene-5-carbonyl)piperidino]-3-(1-methylpyrazol-4-yl)propan-1-one Formula: C25H27N3O2 MolecularWeight: 401.50078

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CCC(=O)N2CCCC(C2)C(=O)C3=C4C=CC=C5C4=C(CC5)C=C3

Isomeric SMILES

CN1C=C(C=N1)CCC(=O)N2CCC[C@@H](C2)C(=O)C3=C4C=CC=C5C4=C(CC5)C=C3

InChI

InChI=1S/C25H27N3O2/c1-27-15-17(14-26-27)7-12-23(29)28-13-3-5-20(16-28)25(30)22-11-10-19-9-8-18-4-2-6-21(22)24(18)19/h2,4,6,10-11,14-15,20H,3,5,7-9,12-13,16H2,1H3/t20-/m0/s1