4-(1-ethylpyrazol-4-yl)carbonyl-1-(phenylmethyl)-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one

Systemtic Name: 4-(1-ethylpyrazol-4-yl)carbonyl-1-(phenylmethyl)-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 1-benzyl-4-(1-ethylpyrazole-4-carbonyl)-6-(3-pyridylmethoxy)-1,4-diazepan-2-one CAS Name: 4-[(1-ethyl-4-pyrazolyl)-oxomethyl]-1-(phenylmethyl)-6-(3-pyridinylmethoxy)-1,4-diazepan-2-one IUPAC Name: 1-benzyl-4-(1-ethylpyrazole-4-carbonyl)-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 1-benzyl-4-(1-ethylpyrazole-4-carbonyl)-6-(3-pyridylmethoxy)-1,4-diazepan-2-one Formula: C24H27N5O3 MolecularWeight: 433.50288

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)C(=O)N2CC(CN(C(=O)C2)CC3=CC=CC=C3)OCC4=CN=CC=C4

Isomeric SMILES

CCN1C=C(C=N1)C(=O)N2CC(CN(C(=O)C2)CC3=CC=CC=C3)OCC4=CN=CC=C4

InChI

InChI=1S/C24H27N5O3/c1-2-29-14-21(12-26-29)24(31)28-16-22(32-18-20-9-6-10-25-11-20)15-27(23(30)17-28)13-19-7-4-3-5-8-19/h3-12,14,22H,2,13,15-18H2,1H3