[(3S)-3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-(2-methyl-5-propyl-pyrazol-3-yl)methanone

Systemtic Name: [(3S)-3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-(2-methyl-5-propyl-pyrazol-3-yl)methanone Openeye Name: (2-methyl-5-propyl-pyrazol-3-yl)-[(3S)-3-[4-(o-tolyl)piperazin-1-yl]-1-piperidyl]methanone CAS Name: [(3S)-3-[4-(2-methylphenyl)-1-piperazinyl]-1-piperidinyl]-(2-methyl-5-propyl-3-pyrazolyl)methanone IUPAC Name: [(3S)-3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-(2-methyl-5-propylpyrazol-3-yl)methanone Traditional Name: (2-methyl-5-propyl-pyrazol-3-yl)-[(3S)-3-[4-(o-tolyl)piperazino]piperidino]methanone Formula: C24H35N5O MolecularWeight: 409.5676

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1)C(=O)N2CCCC(C2)N3CCN(CC3)C4=CC=CC=C4C)C

Isomeric SMILES

CCCC1=NN(C(=C1)C(=O)N2CCC[C@@H](C2)N3CCN(CC3)C4=CC=CC=C4C)C

InChI

InChI=1S/C24H35N5O/c1-4-8-20-17-23(26(3)25-20)24(30)29-12-7-10-21(18-29)27-13-15-28(16-14-27)22-11-6-5-9-19(22)2/h5-6,9,11,17,21H,4,7-8,10,12-16,18H2,1-3H3/t21-/m0/s1