N-butan-2-yl-4-methyl-1-phenyl-isoquinoline-3-carboxamide

Systemtic Name: N-butan-2-yl-4-methyl-1-phenyl-isoquinoline-3-carboxamide Openeye Name: 4-methyl-1-phenyl-N-sec-butyl-isoquinoline-3-carboxamide CAS Name: N-butan-2-yl-4-methyl-1-phenyl-3-isoquinolinecarboxamide IUPAC Name: N-butan-2-yl-4-methyl-1-phenylisoquinoline-3-carboxamide Traditional Name: 4-methyl-1-phenyl-N-sec-butyl-isoquinoline-3-carboxamide Formula: C21H22N2O MolecularWeight: 318.41218

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=C(C2=CC=CC=C2C(=N1)C3=CC=CC=C3)C

Isomeric SMILES

CCC(C)NC(=O)C1=C(C2=CC=CC=C2C(=N1)C3=CC=CC=C3)C

InChI

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