N-tert-butyl-2-(phenylcarbonyl)-1H-isoquinoline-1-carboxamide

Systemtic Name: N-tert-butyl-2-(phenylcarbonyl)-1H-isoquinoline-1-carboxamide Openeye Name: 2-benzoyl-N-tert-butyl-1H-isoquinoline-1-carboxamide CAS Name: 2-benzoyl-N-tert-butyl-1H-isoquinoline-1-carboxamide IUPAC Name: 2-benzoyl-N-tert-butyl-1H-isoquinoline-1-carboxamide Traditional Name: 2-benzoyl-N-tert-butyl-1H-isoquinoline-1-carboxamide Formula: C21H22N2O2 MolecularWeight: 334.41158

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1C2=CC=CC=C2C=CN1C(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)NC(=O)C1C2=CC=CC=C2C=CN1C(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H22N2O2/c1-21(2,3)22-19(24)18-17-12-8-7-9-15(17)13-14-23(18)20(25)16-10-5-4-6-11-16/h4-14,18H,1-3H3,(H,22,24)