azepan-1-yl-[1-[(3-phenyl-1H-pyrazol-5-yl)carbonyl]piperidin-4-yl]methanone

Systemtic Name: azepan-1-yl-[1-[(3-phenyl-1H-pyrazol-5-yl)carbonyl]piperidin-4-yl]methanone Openeye Name: azepan-1-yl-[1-(3-phenyl-1H-pyrazole-5-carbonyl)-4-piperidyl]methanone CAS Name: 1-azepanyl-[1-[oxo-(3-phenyl-1H-pyrazol-5-yl)methyl]-4-piperidinyl]methanone IUPAC Name: azepan-1-yl-[1-(3-phenyl-1H-pyrazole-5-carbonyl)piperidin-4-yl]methanone Traditional Name: azepan-1-yl-[1-(3-phenyl-1H-pyrazole-5-carbonyl)-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(=NN3)C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)C3=CC(=NN3)C4=CC=CC=C4

InChI

InChI=1S/C22H28N4O2/c27-21(25-12-6-1-2-7-13-25)18-10-14-26(15-11-18)22(28)20-16-19(23-24-20)17-8-4-3-5-9-17/h3-5,8-9,16,18H,1-2,6-7,10-15H2,(H,23,24)