4-isoquinolin-3-ylcarbonyl-6-methoxy-1-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]-1,4-diazepan-2-one

Systemtic Name: 4-isoquinolin-3-ylcarbonyl-6-methoxy-1-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]-1,4-diazepan-2-one Openeye Name: 4-(isoquinoline-3-carbonyl)-6-methoxy-1-[3-(2-oxopyrrolidin-1-yl)propyl]-1,4-diazepan-2-one CAS Name: 4-[3-isoquinolinyl(oxo)methyl]-6-methoxy-1-[3-(2-oxo-1-pyrrolidinyl)propyl]-1,4-diazepan-2-one IUPAC Name: 4-(isoquinoline-3-carbonyl)-6-methoxy-1-[3-(2-oxopyrrolidin-1-yl)propyl]-1,4-diazepan-2-one Traditional Name: 4-(isoquinoline-3-carbonyl)-1-[3-(2-ketopyrrolidino)propyl]-6-methoxy-1,4-diazepan-2-one Formula: C23H28N4O4 MolecularWeight: 424.49282

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Descriptors Computed from Structure

Canonical SMILES:

COC1CN(CC(=O)N(C1)CCCN2CCCC2=O)C(=O)C3=CC4=CC=CC=C4C=N3

Isomeric SMILES

COC1CN(CC(=O)N(C1)CCCN2CCCC2=O)C(=O)C3=CC4=CC=CC=C4C=N3

InChI

InChI=1S/C23H28N4O4/c1-31-19-14-26(11-5-10-25-9-4-8-21(25)28)22(29)16-27(15-19)23(30)20-12-17-6-2-3-7-18(17)13-24-20/h2-3,6-7,12-13,19H,4-5,8-11,14-16H2,1H3