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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCCN2C(=O)C3=CC=C(C=C3)CN4C=CC=N4

Isomeric SMILES

COC1=CC=C(C=C1)C2CCCCCN2C(=O)C3=CC=C(C=C3)CN4C=CC=N4

InChI

InChI=1S/C24H27N3O2/c1-29-22-13-11-20(12-14-22)23-6-3-2-4-17-27(23)24(28)21-9-7-19(8-10-21)18-26-16-5-15-25-26/h5,7-16,23H,2-4,6,17-18H2,1H3