N-[4-(3,4-dihydro-2H-pyrrol-5-ylamino)-3-methyl-phenyl]-4-fluoranyl-benzamide

Systemtic Name: N-[4-(3,4-dihydro-2H-pyrrol-5-ylamino)-3-methyl-phenyl]-4-fluoranyl-benzamide Openeye Name: N-[4-(3,4-dihydro-2H-pyrrol-5-ylamino)-3-methyl-phenyl]-4-fluoro-benzamide CAS Name: N-[4-(3,4-dihydro-2H-pyrrol-5-ylamino)-3-methylphenyl]-4-fluorobenzamide IUPAC Name: N-[4-(3,4-dihydro-2H-pyrrol-5-ylamino)-3-methylphenyl]-4-fluorobenzamide Traditional Name: 4-fluoro-N-[3-methyl-4-(1-pyrrolin-2-ylamino)phenyl]benzamide Formula: C18H18FN3O MolecularWeight: 311.353423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)F)NC3=NCCC3

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)F)NC3=NCCC3

InChI

InChI=1S/C18H18FN3O/c1-12-11-15(8-9-16(12)22-17-3-2-10-20-17)21-18(23)13-4-6-14(19)7-5-13/h4-9,11H,2-3,10H2,1H3,(H,20,22)(H,21,23)