azepan-1-yl-[1-(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)carbonylpiperidin-4-yl]methanone

Systemtic Name: azepan-1-yl-[1-(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)carbonylpiperidin-4-yl]methanone Openeye Name: azepan-1-yl-[1-[1-phenyl-3-(3-pyridyl)pyrazole-4-carbonyl]-4-piperidyl]methanone CAS Name: 1-azepanyl-[1-[oxo-[1-phenyl-3-(3-pyridinyl)-4-pyrazolyl]methyl]-4-piperidinyl]methanone IUPAC Name: azepan-1-yl-[1-(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)piperidin-4-yl]methanone Traditional Name: azepan-1-yl-[1-[1-phenyl-3-(3-pyridyl)pyrazole-4-carbonyl]-4-piperidyl]methanone Formula: C27H31N5O2 MolecularWeight: 457.56734

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)C3=CN(N=C3C4=CN=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)C3=CN(N=C3C4=CN=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H31N5O2/c33-26(30-15-6-1-2-7-16-30)21-12-17-31(18-13-21)27(34)24-20-32(23-10-4-3-5-11-23)29-25(24)22-9-8-14-28-19-22/h3-5,8-11,14,19-21H,1-2,6-7,12-13,15-18H2