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

Systemtic Name: azepan-1-yl-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]methanone Openeye Name: azepan-1-yl-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]methanone CAS Name: 1-azepanyl-[1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolyl]methanone IUPAC Name: azepan-1-yl-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methanone Traditional Name: azepan-1-yl-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]methanone Formula: C22H24N4O MolecularWeight: 360.45216

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CN(N=C2C3=CN=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CN(N=C2C3=CN=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C22H24N4O/c27-22(25-13-6-1-2-7-14-25)20-17-26(16-18-9-4-3-5-10-18)24-21(20)19-11-8-12-23-15-19/h3-5,8-12,15,17H,1-2,6-7,13-14,16H2