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

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(3-fluorophenyl)carbamoylamino]-N-phenethyl-benzamide Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(3-fluorophenyl)carbamoylamino]-N-phenethyl-benzamide CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[[(3-fluoroanilino)-oxomethyl]amino]-N-phenethylbenzamide IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(3-fluorophenyl)carbamoylamino]-N-phenethylbenzamide Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(3-fluorophenyl)carbamoylamino]-N-phenethyl-benzamide Formula: C31H29FN4O2 MolecularWeight: 508.585963

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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(=CC=C4)F)C(=O)NCCC5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C31H29FN4O2/c32-25-11-6-12-26(19-25)34-31(38)35-27-13-14-29(36-18-16-23-9-4-5-10-24(23)21-36)28(20-27)30(37)33-17-15-22-7-2-1-3-8-22/h1-14,19-20H,15-18,21H2,(H,33,37)(H2,34,35,38)