5-[(3-chloranyl-4-fluoranyl-phenyl)carbamoylamino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethyl-benzamide

Systemtic Name: 5-[(3-chloranyl-4-fluoranyl-phenyl)carbamoylamino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethyl-benzamide Openeye Name: 5-[(3-chloro-4-fluoro-phenyl)carbamoylamino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethyl-benzamide CAS Name: 5-[[(3-chloro-4-fluoroanilino)-oxomethyl]amino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethylbenzamide IUPAC Name: 5-[(3-chloro-4-fluorophenyl)carbamoylamino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethylbenzamide Traditional Name: 5-[(3-chloro-4-fluoro-phenyl)carbamoylamino]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-phenethyl-benzamide Formula: C31H28ClFN4O2 MolecularWeight: 543.031023

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=C(C=C(C=C3)NC(=O)NC4=CC(=C(C=C4)F)Cl)C(=O)NCCC5=CC=CC=C5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=C(C=C(C=C3)NC(=O)NC4=CC(=C(C=C4)F)Cl)C(=O)NCCC5=CC=CC=C5

InChI

InChI=1S/C31H28ClFN4O2/c32-27-19-25(10-12-28(27)33)36-31(39)35-24-11-13-29(37-17-15-22-8-4-5-9-23(22)20-37)26(18-24)30(38)34-16-14-21-6-2-1-3-7-21/h1-13,18-19H,14-17,20H2,(H,34,38)(H2,35,36,39)