azepan-1-yl-[1-(4-pyrazol-1-ylphenyl)carbonylpiperidin-4-yl]methanone

Systemtic Name: azepan-1-yl-[1-(4-pyrazol-1-ylphenyl)carbonylpiperidin-4-yl]methanone Openeye Name: azepan-1-yl-[1-(4-pyrazol-1-ylbenzoyl)-4-piperidyl]methanone CAS Name: 1-azepanyl-[1-[oxo-[4-(1-pyrazolyl)phenyl]methyl]-4-piperidinyl]methanone IUPAC Name: azepan-1-yl-[1-(4-pyrazol-1-ylbenzoyl)piperidin-4-yl]methanone Traditional Name: azepan-1-yl-[1-(4-pyrazol-1-ylbenzoyl)-4-piperidyl]methanone Formula: C22H28N4O2 MolecularWeight: 380.48332

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C22H28N4O2/c27-21(18-6-8-20(9-7-18)26-15-5-12-23-26)25-16-10-19(11-17-25)22(28)24-13-3-1-2-4-14-24/h5-9,12,15,19H,1-4,10-11,13-14,16-17H2