4-[(2-ethylphenyl)amino]-6-methoxy-7-(2-piperazin-1-ylethoxy)quinoline-3-carboxamide

Systemtic Name: 4-[(2-ethylphenyl)amino]-6-methoxy-7-(2-piperazin-1-ylethoxy)quinoline-3-carboxamide Openeye Name: 4-(2-ethylanilino)-6-methoxy-7-(2-piperazin-1-ylethoxy)quinoline-3-carboxamide CAS Name: 4-(2-ethylanilino)-6-methoxy-7-[2-(1-piperazinyl)ethoxy]-3-quinolinecarboxamide IUPAC Name: 4-(2-ethylanilino)-6-methoxy-7-(2-piperazin-1-ylethoxy)quinoline-3-carboxamide Traditional Name: 4-(2-ethylanilino)-6-methoxy-7-(2-piperazinoethoxy)quinoline-3-carboxamide Formula: C25H31N5O3 MolecularWeight: 449.54534

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC2=C(C=NC3=CC(=C(C=C32)OC)OCCN4CCNCC4)C(=O)N

Isomeric SMILES

CCC1=CC=CC=C1NC2=C(C=NC3=CC(=C(C=C32)OC)OCCN4CCNCC4)C(=O)N

InChI

InChI=1S/C25H31N5O3/c1-3-17-6-4-5-7-20(17)29-24-18-14-22(32-2)23(15-21(18)28-16-19(24)25(26)31)33-13-12-30-10-8-27-9-11-30/h4-7,14-16,27H,3,8-13H2,1-2H3,(H2,26,31)(H,28,29)