4-(1-ethylpyrazol-4-yl)carbonyl-1-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]-6-phenylmethoxy-1,4-diazepan-2-one

Systemtic Name: 4-(1-ethylpyrazol-4-yl)carbonyl-1-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]-6-phenylmethoxy-1,4-diazepan-2-one Openeye Name: 6-benzyloxy-4-(1-ethylpyrazole-4-carbonyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]-1,4-diazepan-2-one CAS Name: 4-[(1-ethyl-4-pyrazolyl)-oxomethyl]-1-[3-(2-oxo-1-pyrrolidinyl)propyl]-6-phenylmethoxy-1,4-diazepan-2-one IUPAC Name: 4-(1-ethylpyrazole-4-carbonyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]-6-phenylmethoxy-1,4-diazepan-2-one Traditional Name: 6-benzoxy-4-(1-ethylpyrazole-4-carbonyl)-1-[3-(2-ketopyrrolidino)propyl]-1,4-diazepan-2-one Formula: C25H33N5O4 MolecularWeight: 467.56062

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)C(=O)N2CC(CN(C(=O)C2)CCCN3CCCC3=O)OCC4=CC=CC=C4

Isomeric SMILES

CCN1C=C(C=N1)C(=O)N2CC(CN(C(=O)C2)CCCN3CCCC3=O)OCC4=CC=CC=C4

InChI

InChI=1S/C25H33N5O4/c1-2-30-15-21(14-26-30)25(33)29-17-22(34-19-20-8-4-3-5-9-20)16-28(24(32)18-29)13-7-12-27-11-6-10-23(27)31/h3-5,8-9,14-15,22H,2,6-7,10-13,16-19H2,1H3