5-[(3-chloranyl-2,2-dimethyl-propanoyl)amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethyl-benzamide

Systemtic Name: 5-[(3-chloranyl-2,2-dimethyl-propanoyl)amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethyl-benzamide Openeye Name: 5-[(3-chloro-2,2-dimethyl-propanoyl)amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethyl-benzamide CAS Name: 5-[(3-chloro-2,2-dimethyl-1-oxopropyl)amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethylbenzamide IUPAC Name: 5-[(3-chloro-2,2-dimethylpropanoyl)amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethylbenzamide Traditional Name: 5-[(3-chloro-2,2-dimethyl-propanoyl)amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethyl-benzamide Formula: C29H32ClN3O2 MolecularWeight: 490.03628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCl)C(=O)NC1=CC(=C(C=C1)N2CCC3=CC=CC=C3C2)C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

CC(C)(CCl)C(=O)NC1=CC(=C(C=C1)N2CCC3=CC=CC=C3C2)C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C29H32ClN3O2/c1-29(2,20-30)28(35)32-24-12-13-26(33-17-15-22-10-6-7-11-23(22)19-33)25(18-24)27(34)31-16-14-21-8-4-3-5-9-21/h3-13,18H,14-17,19-20H2,1-2H3,(H,31,34)(H,32,35)