N-butan-2-yl-N-methyl-3-phenyl-isoquinoline-1-carboxamide

Systemtic Name: N-butan-2-yl-N-methyl-3-phenyl-isoquinoline-1-carboxamide Openeye Name: N-methyl-3-phenyl-N-sec-butyl-isoquinoline-1-carboxamide CAS Name: N-butan-2-yl-N-methyl-3-phenyl-1-isoquinolinecarboxamide IUPAC Name: N-butan-2-yl-N-methyl-3-phenylisoquinoline-1-carboxamide Traditional Name: N-methyl-3-phenyl-N-sec-butyl-isoquinoline-1-carboxamide Formula: C21H22N2O MolecularWeight: 318.41218

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(C)C(=O)C1=NC(=CC2=CC=CC=C21)C3=CC=CC=C3

Isomeric SMILES

CCC(C)N(C)C(=O)C1=NC(=CC2=CC=CC=C21)C3=CC=CC=C3

InChI

InChI=1S/C21H22N2O/c1-4-15(2)23(3)21(24)20-18-13-9-8-12-17(18)14-19(22-20)16-10-6-5-7-11-16/h5-15H,4H2,1-3H3