4-[[3-(hydroxymethyl)-2-methyl-phenyl]amino]quinoline-3-carboxamide

Systemtic Name: 4-[[3-(hydroxymethyl)-2-methyl-phenyl]amino]quinoline-3-carboxamide Openeye Name: 4-[3-(hydroxymethyl)-2-methyl-anilino]quinoline-3-carboxamide CAS Name: 4-[3-(hydroxymethyl)-2-methylanilino]-3-quinolinecarboxamide IUPAC Name: 4-[3-(hydroxymethyl)-2-methylanilino]quinoline-3-carboxamide Traditional Name: 4-(2-methyl-3-methylol-anilino)quinoline-3-carboxamide Formula: C18H17N3O2 MolecularWeight: 307.34648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC2=C(C=NC3=CC=CC=C32)C(=O)N)CO

Isomeric SMILES

CC1=C(C=CC=C1NC2=C(C=NC3=CC=CC=C32)C(=O)N)CO

InChI

InChI=1S/C18H17N3O2/c1-11-12(10-22)5-4-8-15(11)21-17-13-6-2-3-7-16(13)20-9-14(17)18(19)23/h2-9,22H,10H2,1H3,(H2,19,23)(H,20,21)