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

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(3-fluorophenyl)carbamoylamino]-N-(pyridin-3-ylmethyl)benzamide Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(3-fluorophenyl)carbamoylamino]-N-(3-pyridylmethyl)benzamide CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[[(3-fluoroanilino)-oxomethyl]amino]-N-(3-pyridinylmethyl)benzamide IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(3-fluorophenyl)carbamoylamino]-N-(pyridin-3-ylmethyl)benzamide Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-[(3-fluorophenyl)carbamoylamino]-N-(3-pyridylmethyl)benzamide Formula: C29H26FN5O2 MolecularWeight: 495.547443

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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)NCC5=CN=CC=C5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=C(C=C(C=C3)NC(=O)NC4=CC(=CC=C4)F)C(=O)NCC5=CN=CC=C5

InChI

InChI=1S/C29H26FN5O2/c30-23-8-3-9-24(15-23)33-29(37)34-25-10-11-27(35-14-12-21-6-1-2-7-22(21)19-35)26(16-25)28(36)32-18-20-5-4-13-31-17-20/h1-11,13,15-17H,12,14,18-19H2,(H,32,36)(H2,33,34,37)