N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]-4-pyrazol-1-yl-benzamide

Systemtic Name: N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]-4-pyrazol-1-yl-benzamide Openeye Name: N-[(1R,2S)-2-(1-piperidylmethyl)cyclohexyl]-4-pyrazol-1-yl-benzamide CAS Name: N-[(1R,2S)-2-(1-piperidinylmethyl)cyclohexyl]-4-(1-pyrazolyl)benzamide IUPAC Name: N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]-4-pyrazol-1-ylbenzamide Traditional Name: N-[(1R,2S)-2-(piperidinomethyl)cyclohexyl]-4-pyrazol-1-yl-benzamide Formula: C22H30N4O MolecularWeight: 366.4998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2CCCCC2NC(=O)C3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

C1CCN(CC1)C[C@@H]2CCCC[C@H]2NC(=O)C3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C22H30N4O/c27-22(18-9-11-20(12-10-18)26-16-6-13-23-26)24-21-8-3-2-7-19(21)17-25-14-4-1-5-15-25/h6,9-13,16,19,21H,1-5,7-8,14-15,17H2,(H,24,27)/t19-,21+/m0/s1