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

Systemtic Name: azepan-1-yl-[1-[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]carbonylpiperidin-4-yl]methanone Openeye Name: azepan-1-yl-[1-(1-benzyl-3-phenyl-pyrazole-4-carbonyl)-4-piperidyl]methanone CAS Name: 1-azepanyl-[1-[oxo-[3-phenyl-1-(phenylmethyl)-4-pyrazolyl]methyl]-4-piperidinyl]methanone IUPAC Name: azepan-1-yl-[1-(1-benzyl-3-phenylpyrazole-4-carbonyl)piperidin-4-yl]methanone Traditional Name: azepan-1-yl-[1-(1-benzyl-3-phenyl-pyrazole-4-carbonyl)-4-piperidyl]methanone Formula: C29H34N4O2 MolecularWeight: 470.60586

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)C3=CN(N=C3C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=O)C3=CN(N=C3C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C29H34N4O2/c34-28(31-17-9-1-2-10-18-31)25-15-19-32(20-16-25)29(35)26-22-33(21-23-11-5-3-6-12-23)30-27(26)24-13-7-4-8-14-24/h3-8,11-14,22,25H,1-2,9-10,15-21H2