4-(1,5-diphenylpyrazol-3-yl)-1-methyl-1,4-diazepan-5-one

Systemtic Name: 4-(1,5-diphenylpyrazol-3-yl)-1-methyl-1,4-diazepan-5-one Openeye Name: 4-(1,5-diphenylpyrazol-3-yl)-1-methyl-1,4-diazepan-5-one CAS Name: 4-(1,5-diphenyl-3-pyrazolyl)-1-methyl-1,4-diazepan-5-one IUPAC Name: 4-(1,5-diphenylpyrazol-3-yl)-1-methyl-1,4-diazepan-5-one Traditional Name: 4-(1,5-diphenylpyrazol-3-yl)-1-methyl-1,4-diazepan-5-one Formula: C21H22N4O MolecularWeight: 346.42558

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(=O)N(CC1)C2=NN(C(=C2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CN1CCC(=O)N(CC1)C2=NN(C(=C2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H22N4O/c1-23-13-12-21(26)24(15-14-23)20-16-19(17-8-4-2-5-9-17)25(22-20)18-10-6-3-7-11-18/h2-11,16H,12-15H2,1H3