5-(2-chloranylethanoylamino)-N-cyclopropyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)benzamide

Systemtic Name: 5-(2-chloranylethanoylamino)-N-cyclopropyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)benzamide Openeye Name: 5-[(2-chloroacetyl)amino]-N-cyclopropyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)benzamide CAS Name: 5-[(2-chloro-1-oxoethyl)amino]-N-cyclopropyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)benzamide IUPAC Name: 5-[(2-chloroacetyl)amino]-N-cyclopropyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)benzamide Traditional Name: 5-[(2-chloroacetyl)amino]-N-cyclopropyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)benzamide Formula: C21H22ClN3O2 MolecularWeight: 383.87128

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=C(C=CC(=C2)NC(=O)CCl)N3CCC4=CC=CC=C4C3

Isomeric SMILES

C1CC1NC(=O)C2=C(C=CC(=C2)NC(=O)CCl)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C21H22ClN3O2/c22-12-20(26)23-17-7-8-19(18(11-17)21(27)24-16-5-6-16)25-10-9-14-3-1-2-4-15(14)13-25/h1-4,7-8,11,16H,5-6,9-10,12-13H2,(H,23,26)(H,24,27)