2-[4-(1,3-diphenylpyrazol-4-yl)carbonyl-1,4-diazepan-1-yl]-N,N-dimethyl-ethanamide

Systemtic Name: 2-[4-(1,3-diphenylpyrazol-4-yl)carbonyl-1,4-diazepan-1-yl]-N,N-dimethyl-ethanamide Openeye Name: 2-[4-(1,3-diphenylpyrazole-4-carbonyl)-1,4-diazepan-1-yl]-N,N-dimethyl-acetamide CAS Name: 2-[4-[(1,3-diphenyl-4-pyrazolyl)-oxomethyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide IUPAC Name: 2-[4-(1,3-diphenylpyrazole-4-carbonyl)-1,4-diazepan-1-yl]-N,N-dimethylacetamide Traditional Name: 2-[4-(1,3-diphenylpyrazole-4-carbonyl)-1,4-diazepan-1-yl]-N,N-dimethyl-acetamide Formula: C25H29N5O2 MolecularWeight: 431.53006

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CN1CCCN(CC1)C(=O)C2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CN(C)C(=O)CN1CCCN(CC1)C(=O)C2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H29N5O2/c1-27(2)23(31)19-28-14-9-15-29(17-16-28)25(32)22-18-30(21-12-7-4-8-13-21)26-24(22)20-10-5-3-6-11-20/h3-8,10-13,18H,9,14-17,19H2,1-2H3