1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]carbonyl-4-propyl-1,4-diazepan-5-one

Systemtic Name: 1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]carbonyl-4-propyl-1,4-diazepan-5-one Openeye Name: 1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]-4-propyl-1,4-diazepan-5-one CAS Name: 1-[[4-[(3,5-dimethyl-1-pyrazolyl)methyl]phenyl]-oxomethyl]-4-propyl-1,4-diazepan-5-one IUPAC Name: 1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]-4-propyl-1,4-diazepan-5-one Traditional Name: 1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]-4-propyl-1,4-diazepan-5-one Formula: C21H28N4O2 MolecularWeight: 368.47262

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCN(CCC1=O)C(=O)C2=CC=C(C=C2)CN3C(=CC(=N3)C)C

Isomeric SMILES

CCCN1CCN(CCC1=O)C(=O)C2=CC=C(C=C2)CN3C(=CC(=N3)C)C

InChI

InChI=1S/C21H28N4O2/c1-4-10-23-12-13-24(11-9-20(23)26)21(27)19-7-5-18(6-8-19)15-25-17(3)14-16(2)22-25/h5-8,14H,4,9-13,15H2,1-3H3