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

Systemtic Name: 6,7-diethoxy-4-[[2-ethyl-3-[[(phenylmethyl)amino]methyl]phenyl]amino]quinoline-3-carboxamide Openeye Name: 4-[3-[(benzylamino)methyl]-2-ethyl-anilino]-6,7-diethoxy-quinoline-3-carboxamide CAS Name: 6,7-diethoxy-4-[2-ethyl-3-[[(phenylmethyl)amino]methyl]anilino]-3-quinolinecarboxamide IUPAC Name: 4-[3-[(benzylamino)methyl]-2-ethylanilino]-6,7-diethoxyquinoline-3-carboxamide Traditional Name: 4-[3-[(benzylamino)methyl]-2-ethyl-anilino]-6,7-diethoxy-quinoline-3-carboxamide Formula: C30H34N4O3 MolecularWeight: 498.61596

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C30H34N4O3/c1-4-22-21(18-32-17-20-11-8-7-9-12-20)13-10-14-25(22)34-29-23-15-27(36-5-2)28(37-6-3)16-26(23)33-19-24(29)30(31)35/h7-16,19,32H,4-6,17-18H2,1-3H3,(H2,31,35)(H,33,34)