[3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone

Systemtic Name: [3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone Openeye Name: [3-[4-(3-chlorophenyl)piperazin-1-yl]-1-piperidyl]-(1-isopropylpyrazol-4-yl)methanone CAS Name: [3-[4-(3-chlorophenyl)-1-piperazinyl]-1-piperidinyl]-(1-propan-2-yl-4-pyrazolyl)methanone IUPAC Name: [3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone Traditional Name: [3-[4-(3-chlorophenyl)piperazino]piperidino]-(1-isopropylpyrazol-4-yl)methanone Formula: C22H30ClN5O MolecularWeight: 415.9595

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C=N1)C(=O)N2CCCC(C2)N3CCN(CC3)C4=CC(=CC=C4)Cl

Isomeric SMILES

CC(C)N1C=C(C=N1)C(=O)N2CCCC(C2)N3CCN(CC3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C22H30ClN5O/c1-17(2)28-15-18(14-24-28)22(29)27-8-4-7-21(16-27)26-11-9-25(10-12-26)20-6-3-5-19(23)13-20/h3,5-6,13-15,17,21H,4,7-12,16H2,1-2H3