7-[(2,5-diphenyl-3,4-dihydropyrazol-4-yl)methyl]azepan-2-one

Systemtic Name: 7-[(2,5-diphenyl-3,4-dihydropyrazol-4-yl)methyl]azepan-2-one Openeye Name: 7-[(2,5-diphenyl-3,4-dihydropyrazol-4-yl)methyl]azepan-2-one CAS Name: 7-[(2,5-diphenyl-3,4-dihydropyrazol-4-yl)methyl]-2-azepanone IUPAC Name: 7-[(2,5-diphenyl-3,4-dihydropyrazol-4-yl)methyl]azepan-2-one Traditional Name: 7-[(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)NC(C1)CC2CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CCC(=O)NC(C1)CC2CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H25N3O/c26-21-14-8-7-11-19(23-21)15-18-16-25(20-12-5-2-6-13-20)24-22(18)17-9-3-1-4-10-17/h1-6,9-10,12-13,18-19H,7-8,11,14-16H2,(H,23,26)