N-butan-2-yl-5-[(2-chloranyl-2-phenyl-ethanoyl)amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)benzamide

Systemtic Name: N-butan-2-yl-5-[(2-chloranyl-2-phenyl-ethanoyl)amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)benzamide Openeye Name: 5-[(2-chloro-2-phenyl-acetyl)amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-sec-butyl-benzamide CAS Name: N-butan-2-yl-5-[(2-chloro-1-oxo-2-phenylethyl)amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)benzamide IUPAC Name: N-butan-2-yl-5-[(2-chloro-2-phenylacetyl)amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)benzamide Traditional Name: 5-[(2-chloro-2-phenyl-acetyl)amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-sec-butyl-benzamide Formula: C28H30ClN3O2 MolecularWeight: 476.0097

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)C(C2=CC=CC=C2)Cl)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CCC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)C(C2=CC=CC=C2)Cl)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C28H30ClN3O2/c1-3-19(2)30-27(33)24-17-23(31-28(34)26(29)21-10-5-4-6-11-21)13-14-25(24)32-16-15-20-9-7-8-12-22(20)18-32/h4-14,17,19,26H,3,15-16,18H2,1-2H3,(H,30,33)(H,31,34)