1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]carbonyl-4-(2-phenoxyethyl)-1,4-diazepan-5-one

Systemtic Name: 1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]carbonyl-4-(2-phenoxyethyl)-1,4-diazepan-5-one Openeye Name: 1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]-4-(2-phenoxyethyl)-1,4-diazepan-5-one CAS Name: 1-[[4-[(3,5-dimethyl-1-pyrazolyl)methyl]phenyl]-oxomethyl]-4-(2-phenoxyethyl)-1,4-diazepan-5-one IUPAC Name: 1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]-4-(2-phenoxyethyl)-1,4-diazepan-5-one Traditional Name: 1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]-4-(2-phenoxyethyl)-1,4-diazepan-5-one Formula: C26H30N4O3 MolecularWeight: 446.5414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC2=CC=C(C=C2)C(=O)N3CCC(=O)N(CC3)CCOC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=NN1CC2=CC=C(C=C2)C(=O)N3CCC(=O)N(CC3)CCOC4=CC=CC=C4)C

InChI

InChI=1S/C26H30N4O3/c1-20-18-21(2)30(27-20)19-22-8-10-23(11-9-22)26(32)29-13-12-25(31)28(14-15-29)16-17-33-24-6-4-3-5-7-24/h3-11,18H,12-17,19H2,1-2H3