[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-5-methoxy-phenyl]-(3,3,5-trimethylazepan-1-yl)methanone

Systemtic Name: [2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-5-methoxy-phenyl]-(3,3,5-trimethylazepan-1-yl)methanone Openeye Name: [2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-5-methoxy-phenyl]-(3,3,5-trimethylazepan-1-yl)methanone CAS Name: [2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-5-methoxyphenyl]-(3,3,5-trimethyl-1-azepanyl)methanone IUPAC Name: [2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-5-methoxyphenyl]-(3,3,5-trimethylazepan-1-yl)methanone Traditional Name: [2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-5-methoxy-phenyl]-(3,3,5-trimethylazepan-1-yl)methanone Formula: C28H35N3O2 MolecularWeight: 445.5964

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC(C1)(C)C)C(=O)C2=C(C=CC(=C2)OC)C3=C(N(N=C3C)C4=CC=CC=C4)C

Isomeric SMILES

CC1CCN(CC(C1)(C)C)C(=O)C2=C(C=CC(=C2)OC)C3=C(N(N=C3C)C4=CC=CC=C4)C

InChI

InChI=1S/C28H35N3O2/c1-19-14-15-30(18-28(4,5)17-19)27(32)25-16-23(33-6)12-13-24(25)26-20(2)29-31(21(26)3)22-10-8-7-9-11-22/h7-13,16,19H,14-15,17-18H2,1-6H3