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

Systemtic Name: 4-[[3-[[(4-chlorophenyl)methylamino]methyl]-2-ethyl-phenyl]amino]-6,7-diethoxy-quinoline-3-carboxamide Openeye Name: 4-[3-[[(4-chlorophenyl)methylamino]methyl]-2-ethyl-anilino]-6,7-diethoxy-quinoline-3-carboxamide CAS Name: 4-[3-[[(4-chlorophenyl)methylamino]methyl]-2-ethylanilino]-6,7-diethoxy-3-quinolinecarboxamide IUPAC Name: 4-[3-[[(4-chlorophenyl)methylamino]methyl]-2-ethylanilino]-6,7-diethoxyquinoline-3-carboxamide Traditional Name: 4-[3-[[(4-chlorobenzyl)amino]methyl]-2-ethyl-anilino]-6,7-diethoxy-quinoline-3-carboxamide Formula: C30H33ClN4O3 MolecularWeight: 533.06102

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC=C1NC2=C(C=NC3=CC(=C(C=C32)OCC)OCC)C(=O)N)CNCC4=CC=C(C=C4)Cl

Isomeric SMILES

CCC1=C(C=CC=C1NC2=C(C=NC3=CC(=C(C=C32)OCC)OCC)C(=O)N)CNCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C30H33ClN4O3/c1-4-22-20(17-33-16-19-10-12-21(31)13-11-19)8-7-9-25(22)35-29-23-14-27(37-5-2)28(38-6-3)15-26(23)34-18-24(29)30(32)36/h7-15,18,33H,4-6,16-17H2,1-3H3,(H2,32,36)(H,34,35)