N-[3-[(2-azanyl-2-oxidanylidene-ethyl)carbamoyl]phenyl]-2-cyclopropyl-quinoline-4-carboxamide

Systemtic Name: N-[3-[(2-azanyl-2-oxidanylidene-ethyl)carbamoyl]phenyl]-2-cyclopropyl-quinoline-4-carboxamide Openeye Name: N-[3-[(2-amino-2-oxo-ethyl)carbamoyl]phenyl]-2-cyclopropyl-quinoline-4-carboxamide CAS Name: N-[3-[[(2-amino-2-oxoethyl)amino]-oxomethyl]phenyl]-2-cyclopropyl-4-quinolinecarboxamide IUPAC Name: N-[3-[(2-amino-2-oxoethyl)carbamoyl]phenyl]-2-cyclopropylquinoline-4-carboxamide Traditional Name: N-[3-[(2-amino-2-keto-ethyl)carbamoyl]phenyl]-2-cyclopropyl-cinchoninamide Formula: C22H20N4O3 MolecularWeight: 388.4192

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=CC(=C4)C(=O)NCC(=O)N

Isomeric SMILES

C1CC1C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC=CC(=C4)C(=O)NCC(=O)N

InChI

InChI=1S/C22H20N4O3/c23-20(27)12-24-21(28)14-4-3-5-15(10-14)25-22(29)17-11-19(13-8-9-13)26-18-7-2-1-6-16(17)18/h1-7,10-11,13H,8-9,12H2,(H2,23,27)(H,24,28)(H,25,29)