[3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-(1-ethylpyrazol-4-yl)methanone

Systemtic Name: [3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-(1-ethylpyrazol-4-yl)methanone Openeye Name: [3-[4-(3-chlorophenyl)piperazin-1-yl]-1-piperidyl]-(1-ethylpyrazol-4-yl)methanone CAS Name: [3-[4-(3-chlorophenyl)-1-piperazinyl]-1-piperidinyl]-(1-ethyl-4-pyrazolyl)methanone IUPAC Name: [3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-(1-ethylpyrazol-4-yl)methanone Traditional Name: [3-[4-(3-chlorophenyl)piperazino]piperidino]-(1-ethylpyrazol-4-yl)methanone Formula: C21H28ClN5O MolecularWeight: 401.93292

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)C(=O)N2CCCC(C2)N3CCN(CC3)C4=CC(=CC=C4)Cl

Isomeric SMILES

CCN1C=C(C=N1)C(=O)N2CCCC(C2)N3CCN(CC3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H28ClN5O/c1-2-27-15-17(14-23-27)21(28)26-8-4-7-20(16-26)25-11-9-24(10-12-25)19-6-3-5-18(22)13-19/h3,5-6,13-15,20H,2,4,7-12,16H2,1H3