[2-(1-methylpyrrol-2-yl)azepan-1-yl]-[1-(phenylmethyl)pyrazol-4-yl]methanone

Systemtic Name: [2-(1-methylpyrrol-2-yl)azepan-1-yl]-[1-(phenylmethyl)pyrazol-4-yl]methanone Openeye Name: (1-benzylpyrazol-4-yl)-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone CAS Name: [2-(1-methyl-2-pyrrolyl)-1-azepanyl]-[1-(phenylmethyl)-4-pyrazolyl]methanone IUPAC Name: (1-benzylpyrazol-4-yl)-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone Traditional Name: (1-benzylpyrazol-4-yl)-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone Formula: C22H26N4O MolecularWeight: 362.46804

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2CCCCCN2C(=O)C3=CN(N=C3)CC4=CC=CC=C4

Isomeric SMILES

CN1C=CC=C1C2CCCCCN2C(=O)C3=CN(N=C3)CC4=CC=CC=C4

InChI

InChI=1S/C22H26N4O/c1-24-13-8-12-20(24)21-11-6-3-7-14-26(21)22(27)19-15-23-25(17-19)16-18-9-4-2-5-10-18/h2,4-5,8-10,12-13,15,17,21H,3,6-7,11,14,16H2,1H3