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

Systemtic Name: [2-(4-methoxyphenyl)azepan-1-yl]-[1-(phenylmethyl)pyrazol-4-yl]methanone Openeye Name: (1-benzylpyrazol-4-yl)-[2-(4-methoxyphenyl)azepan-1-yl]methanone CAS Name: [2-(4-methoxyphenyl)-1-azepanyl]-[1-(phenylmethyl)-4-pyrazolyl]methanone IUPAC Name: (1-benzylpyrazol-4-yl)-[2-(4-methoxyphenyl)azepan-1-yl]methanone Traditional Name: (1-benzylpyrazol-4-yl)-[2-(4-methoxyphenyl)azepan-1-yl]methanone Formula: C24H27N3O2 MolecularWeight: 389.49008

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCCN2C(=O)C3=CN(N=C3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2CCCCCN2C(=O)C3=CN(N=C3)CC4=CC=CC=C4

InChI

InChI=1S/C24H27N3O2/c1-29-22-13-11-20(12-14-22)23-10-6-3-7-15-27(23)24(28)21-16-25-26(18-21)17-19-8-4-2-5-9-19/h2,4-5,8-9,11-14,16,18,23H,3,6-7,10,15,17H2,1H3