1-[(2,5-diphenyl-3,4-dihydropyrazol-4-yl)methyl]azepan-2-one

Systemtic Name: 1-[(2,5-diphenyl-3,4-dihydropyrazol-4-yl)methyl]azepan-2-one Openeye Name: 1-[(2,5-diphenyl-3,4-dihydropyrazol-4-yl)methyl]azepan-2-one CAS Name: 1-[(2,5-diphenyl-3,4-dihydropyrazol-4-yl)methyl]-2-azepanone IUPAC Name: 1-[(2,5-diphenyl-3,4-dihydropyrazol-4-yl)methyl]azepan-2-one Traditional Name: 1-[(1,3-diphenyl-2-pyrazolin-4-yl)methyl]azepan-2-one Formula: C22H25N3O MolecularWeight: 347.4534

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CC2CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CCC(=O)N(CC1)CC2CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H25N3O/c26-21-14-8-3-9-15-24(21)16-19-17-25(20-12-6-2-7-13-20)23-22(19)18-10-4-1-5-11-18/h1-2,4-7,10-13,19H,3,8-9,14-17H2