N-[4-[(4-azanyl-3-oxidanyl-4-oxidanylidene-1-phenyl-butan-2-yl)carbamoyl]-3-methyl-phenyl]quinoline-2-carboxamide

Systemtic Name: N-[4-[(4-azanyl-3-oxidanyl-4-oxidanylidene-1-phenyl-butan-2-yl)carbamoyl]-3-methyl-phenyl]quinoline-2-carboxamide Openeye Name: N-[4-[(3-amino-1-benzyl-2-hydroxy-3-oxo-propyl)carbamoyl]-3-methyl-phenyl]quinoline-2-carboxamide CAS Name: N-[4-[[(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)amino]-oxomethyl]-3-methylphenyl]-2-quinolinecarboxamide IUPAC Name: N-[4-[(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)carbamoyl]-3-methylphenyl]quinoline-2-carboxamide Traditional Name: N-[4-[(3-amino-1-benzyl-2-hydroxy-3-keto-propyl)carbamoyl]-3-methyl-phenyl]quinaldamide Formula: C28H26N4O4 MolecularWeight: 482.53044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2=NC3=CC=CC=C3C=C2)C(=O)NC(CC4=CC=CC=C4)C(C(=O)N)O

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2=NC3=CC=CC=C3C=C2)C(=O)NC(CC4=CC=CC=C4)C(C(=O)N)O

InChI

InChI=1S/C28H26N4O4/c1-17-15-20(30-28(36)23-14-11-19-9-5-6-10-22(19)31-23)12-13-21(17)27(35)32-24(25(33)26(29)34)16-18-7-3-2-4-8-18/h2-15,24-25,33H,16H2,1H3,(H2,29,34)(H,30,36)(H,32,35)