4-[[3-(azidomethyl)-2-methyl-phenyl]amino]-6,7-diethoxy-quinoline-3-carboxamide

Systemtic Name: 4-[[3-(azidomethyl)-2-methyl-phenyl]amino]-6,7-diethoxy-quinoline-3-carboxamide Openeye Name: 4-[3-(azidomethyl)-2-methyl-anilino]-6,7-diethoxy-quinoline-3-carboxamide CAS Name: 4-[3-(azidomethyl)-2-methylanilino]-6,7-diethoxy-3-quinolinecarboxamide IUPAC Name: 4-[3-(azidomethyl)-2-methylanilino]-6,7-diethoxyquinoline-3-carboxamide Traditional Name: 4-[3-(azidomethyl)-2-methyl-anilino]-6,7-diethoxy-quinoline-3-carboxamide Formula: C22H24N6O3 MolecularWeight: 420.46436

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C(=C(C=N2)C(=O)N)NC3=CC=CC(=C3C)CN=[N+]=[N-])OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C(=C(C=N2)C(=O)N)NC3=CC=CC(=C3C)CN=[N+]=[N-])OCC

InChI

InChI=1S/C22H24N6O3/c1-4-30-19-9-15-18(10-20(19)31-5-2)25-12-16(22(23)29)21(15)27-17-8-6-7-14(13(17)3)11-26-28-24/h6-10,12H,4-5,11H2,1-3H3,(H2,23,29)(H,25,27)