2-azanyl-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-yl)piperidin-1-yl]propan-1-one

Systemtic Name: 2-azanyl-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-yl)piperidin-1-yl]propan-1-one Openeye Name: 2-amino-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-yl)-1-piperidyl]propan-1-one CAS Name: 2-amino-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-yl)-1-piperidinyl]-1-propanone IUPAC Name: 2-amino-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-yl)piperidin-1-yl]propan-1-one Traditional Name: 2-amino-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-yl)piperidino]propan-1-one Formula: C22H30ClN5O MolecularWeight: 415.9595

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2(CCN(CC2)C(=O)C(CC3=CC=C(C=C3)Cl)N)N4C=NC=N4

Isomeric SMILES

C1CCC(CC1)C2(CCN(CC2)C(=O)C(CC3=CC=C(C=C3)Cl)N)N4C=NC=N4

InChI

InChI=1S/C22H30ClN5O/c23-19-8-6-17(7-9-19)14-20(24)21(29)27-12-10-22(11-13-27,28-16-25-15-26-28)18-4-2-1-3-5-18/h6-9,15-16,18,20H,1-5,10-14,24H2