N-[[4-[(2-azanyl-2-oxidanylidene-ethyl)carbamoyl]phenyl]methyl]-2-(4-methylphenyl)quinoline-4-carboxamide

Systemtic Name: N-[[4-[(2-azanyl-2-oxidanylidene-ethyl)carbamoyl]phenyl]methyl]-2-(4-methylphenyl)quinoline-4-carboxamide Openeye Name: N-[[4-[(2-amino-2-oxo-ethyl)carbamoyl]phenyl]methyl]-2-(p-tolyl)quinoline-4-carboxamide CAS Name: N-[[4-[[(2-amino-2-oxoethyl)amino]-oxomethyl]phenyl]methyl]-2-(4-methylphenyl)-4-quinolinecarboxamide IUPAC Name: N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-2-(4-methylphenyl)quinoline-4-carboxamide Traditional Name: N-[4-[(2-amino-2-keto-ethyl)carbamoyl]benzyl]-2-(p-tolyl)cinchoninamide Formula: C27H24N4O3 MolecularWeight: 452.50446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCC4=CC=C(C=C4)C(=O)NCC(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCC4=CC=C(C=C4)C(=O)NCC(=O)N

InChI

InChI=1S/C27H24N4O3/c1-17-6-10-19(11-7-17)24-14-22(21-4-2-3-5-23(21)31-24)27(34)29-15-18-8-12-20(13-9-18)26(33)30-16-25(28)32/h2-14H,15-16H2,1H3,(H2,28,32)(H,29,34)(H,30,33)