2-(4-methoxyphenyl)-1-[(1-phenylpyrazol-4-yl)methyl]azepane

Systemtic Name: 2-(4-methoxyphenyl)-1-[(1-phenylpyrazol-4-yl)methyl]azepane Openeye Name: 2-(4-methoxyphenyl)-1-[(1-phenylpyrazol-4-yl)methyl]azepane CAS Name: 2-(4-methoxyphenyl)-1-[(1-phenyl-4-pyrazolyl)methyl]azepane IUPAC Name: 2-(4-methoxyphenyl)-1-[(1-phenylpyrazol-4-yl)methyl]azepane Traditional Name: 2-(4-methoxyphenyl)-1-[(1-phenylpyrazol-4-yl)methyl]azepane Formula: C23H27N3O MolecularWeight: 361.47998

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCCN2CC3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2CCCCCN2CC3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H27N3O/c1-27-22-13-11-20(12-14-22)23-10-6-3-7-15-25(23)17-19-16-24-26(18-19)21-8-4-2-5-9-21/h2,4-5,8-9,11-14,16,18,23H,3,6-7,10,15,17H2,1H3