1-(2-methylpropyl)-4-(3-pyrazol-1-ylphenyl)carbonyl-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one

Systemtic Name: 1-(2-methylpropyl)-4-(3-pyrazol-1-ylphenyl)carbonyl-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 1-isobutyl-4-(3-pyrazol-1-ylbenzoyl)-6-(3-pyridylmethoxy)-1,4-diazepan-2-one CAS Name: 1-(2-methylpropyl)-4-[oxo-[3-(1-pyrazolyl)phenyl]methyl]-6-(3-pyridinylmethoxy)-1,4-diazepan-2-one IUPAC Name: 1-(2-methylpropyl)-4-(3-pyrazol-1-ylbenzoyl)-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 1-isobutyl-4-(3-pyrazol-1-ylbenzoyl)-6-(3-pyridylmethoxy)-1,4-diazepan-2-one Formula: C25H29N5O3 MolecularWeight: 447.52946

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1CC(CN(CC1=O)C(=O)C2=CC(=CC=C2)N3C=CC=N3)OCC4=CN=CC=C4

Isomeric SMILES

CC(C)CN1CC(CN(CC1=O)C(=O)C2=CC(=CC=C2)N3C=CC=N3)OCC4=CN=CC=C4

InChI

InChI=1S/C25H29N5O3/c1-19(2)14-28-15-23(33-18-20-6-4-9-26-13-20)16-29(17-24(28)31)25(32)21-7-3-8-22(12-21)30-11-5-10-27-30/h3-13,19,23H,14-18H2,1-2H3