(1-chloranylisoquinolin-3-yl)-(4-methyl-1,4-diazepan-1-yl)methanone

Systemtic Name: (1-chloranylisoquinolin-3-yl)-(4-methyl-1,4-diazepan-1-yl)methanone Openeye Name: (1-chloro-3-isoquinolyl)-(4-methyl-1,4-diazepan-1-yl)methanone CAS Name: (1-chloro-3-isoquinolinyl)-(4-methyl-1,4-diazepan-1-yl)methanone IUPAC Name: (1-chloroisoquinolin-3-yl)-(4-methyl-1,4-diazepan-1-yl)methanone Traditional Name: (1-chloro-3-isoquinolyl)-(4-methyl-1,4-diazepan-1-yl)methanone Formula: C16H18ClN3O MolecularWeight: 303.78662

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)C(=O)C2=CC3=CC=CC=C3C(=N2)Cl

Isomeric SMILES

CN1CCCN(CC1)C(=O)C2=CC3=CC=CC=C3C(=N2)Cl

InChI

InChI=1S/C16H18ClN3O/c1-19-7-4-8-20(10-9-19)16(21)14-11-12-5-2-3-6-13(12)15(17)18-14/h2-3,5-6,11H,4,7-10H2,1H3