7-[1-(azepan-3-yl)propoxy]-4-[(2-ethylphenyl)amino]-6-methoxy-quinoline-3-carboxamide

Systemtic Name: 7-[1-(azepan-3-yl)propoxy]-4-[(2-ethylphenyl)amino]-6-methoxy-quinoline-3-carboxamide Openeye Name: 7-[1-(azepan-3-yl)propoxy]-4-(2-ethylanilino)-6-methoxy-quinoline-3-carboxamide CAS Name: 7-[1-(3-azepanyl)propoxy]-4-(2-ethylanilino)-6-methoxy-3-quinolinecarboxamide IUPAC Name: 7-[1-(azepan-3-yl)propoxy]-4-(2-ethylanilino)-6-methoxyquinoline-3-carboxamide Traditional Name: 7-[1-(azepan-3-yl)propoxy]-4-(2-ethylanilino)-6-methoxy-quinoline-3-carboxamide Formula: C28H36N4O3 MolecularWeight: 476.61044

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC2=C(C=NC3=CC(=C(C=C32)OC)OC(CC)C4CCCCNC4)C(=O)N

Isomeric SMILES

CCC1=CC=CC=C1NC2=C(C=NC3=CC(=C(C=C32)OC)OC(CC)C4CCCCNC4)C(=O)N

InChI

InChI=1S/C28H36N4O3/c1-4-18-10-6-7-12-22(18)32-27-20-14-25(34-3)26(15-23(20)31-17-21(27)28(29)33)35-24(5-2)19-11-8-9-13-30-16-19/h6-7,10,12,14-15,17,19,24,30H,4-5,8-9,11,13,16H2,1-3H3,(H2,29,33)(H,31,32)