3,4-bis(azanyl)-4-(7-chloranylisoquinolin-3-yl)carbonyl-N,N-dimethyl-cyclohexane-1-carboxamide

Systemtic Name: 3,4-bis(azanyl)-4-(7-chloranylisoquinolin-3-yl)carbonyl-N,N-dimethyl-cyclohexane-1-carboxamide Openeye Name: 3,4-diamino-4-(7-chloroisoquinoline-3-carbonyl)-N,N-dimethyl-cyclohexanecarboxamide CAS Name: 3,4-diamino-4-[(7-chloro-3-isoquinolinyl)-oxomethyl]-N,N-dimethyl-1-cyclohexanecarboxamide IUPAC Name: 3,4-diamino-4-(7-chloroisoquinoline-3-carbonyl)-N,N-dimethylcyclohexane-1-carboxamide Traditional Name: 3,4-diamino-4-(7-chloroisoquinoline-3-carbonyl)-N,N-dimethyl-cyclohexanecarboxamide Formula: C19H23ClN4O2 MolecularWeight: 374.86452

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1CCC(C(C1)N)(C(=O)C2=NC=C3C=C(C=CC3=C2)Cl)N

Isomeric SMILES

CN(C)C(=O)C1CCC(C(C1)N)(C(=O)C2=NC=C3C=C(C=CC3=C2)Cl)N

InChI

InChI=1S/C19H23ClN4O2/c1-24(2)18(26)12-5-6-19(22,16(21)9-12)17(25)15-8-11-3-4-14(20)7-13(11)10-23-15/h3-4,7-8,10,12,16H,5-6,9,21-22H2,1-2H3