7-[2-(2-fluorophenyl)ethanoylamino]-N-prop-2-enyl-3,4-dihydro-1H-isoquinoline-2-carboxamide

Systemtic Name: 7-[2-(2-fluorophenyl)ethanoylamino]-N-prop-2-enyl-3,4-dihydro-1H-isoquinoline-2-carboxamide Openeye Name: N-allyl-7-[[2-(2-fluorophenyl)acetyl]amino]-3,4-dihydro-1H-isoquinoline-2-carboxamide CAS Name: 7-[[2-(2-fluorophenyl)-1-oxoethyl]amino]-N-prop-2-enyl-3,4-dihydro-1H-isoquinoline-2-carboxamide IUPAC Name: 7-[[2-(2-fluorophenyl)acetyl]amino]-N-prop-2-enyl-3,4-dihydro-1H-isoquinoline-2-carboxamide Traditional Name: N-allyl-7-[[2-(2-fluorophenyl)acetyl]amino]-3,4-dihydro-1H-isoquinoline-2-carboxamide Formula: C21H22FN3O2 MolecularWeight: 367.416683

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)CC3=CC=CC=C3F

Isomeric SMILES

C=CCNC(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)CC3=CC=CC=C3F

InChI

InChI=1S/C21H22FN3O2/c1-2-10-23-21(27)25-11-9-15-7-8-18(12-17(15)14-25)24-20(26)13-16-5-3-4-6-19(16)22/h2-8,12H,1,9-11,13-14H2,(H,23,27)(H,24,26)