1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(5-oxidanylidene-1,4-diazepan-1-yl)butane-1,4-dione

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(5-oxidanylidene-1,4-diazepan-1-yl)butane-1,4-dione Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(5-oxo-1,4-diazepan-1-yl)butane-1,4-dione CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(5-oxo-1,4-diazepan-1-yl)butane-1,4-dione IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(5-oxo-1,4-diazepan-1-yl)butane-1,4-dione Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(5-keto-1,4-diazepan-1-yl)butane-1,4-dione Formula: C18H23N3O3 MolecularWeight: 329.39352

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CCC(=O)N3CCC(=O)NCC3

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CCC(=O)N3CCC(=O)NCC3

InChI

InChI=1S/C18H23N3O3/c22-16-8-11-20(12-9-19-16)17(23)5-6-18(24)21-10-7-14-3-1-2-4-15(14)13-21/h1-4H,5-13H2,(H,19,22)