N-butyl-7-chloranyl-1-methyl-isoquinoline-3-carboxamide

Systemtic Name: N-butyl-7-chloranyl-1-methyl-isoquinoline-3-carboxamide Openeye Name: N-butyl-7-chloro-1-methyl-isoquinoline-3-carboxamide CAS Name: N-butyl-7-chloro-1-methyl-3-isoquinolinecarboxamide IUPAC Name: N-butyl-7-chloro-1-methylisoquinoline-3-carboxamide Traditional Name: N-butyl-7-chloro-1-methyl-isoquinoline-3-carboxamide Formula: C15H17ClN2O MolecularWeight: 276.76128

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=NC(=C2C=C(C=CC2=C1)Cl)C

Isomeric SMILES

CCCCNC(=O)C1=NC(=C2C=C(C=CC2=C1)Cl)C

InChI

InChI=1S/C15H17ClN2O/c1-3-4-7-17-15(19)14-8-11-5-6-12(16)9-13(11)10(2)18-14/h5-6,8-9H,3-4,7H2,1-2H3,(H,17,19)