4-[[2-ethyl-3-[(piperidin-4-ylamino)methyl]phenyl]amino]-6,7-dimethoxy-quinoline-3-carboxamide

Systemtic Name: 4-[[2-ethyl-3-[(piperidin-4-ylamino)methyl]phenyl]amino]-6,7-dimethoxy-quinoline-3-carboxamide Openeye Name: 4-[2-ethyl-3-[(4-piperidylamino)methyl]anilino]-6,7-dimethoxy-quinoline-3-carboxamide CAS Name: 4-[2-ethyl-3-[(4-piperidinylamino)methyl]anilino]-6,7-dimethoxy-3-quinolinecarboxamide IUPAC Name: 4-[2-ethyl-3-[(piperidin-4-ylamino)methyl]anilino]-6,7-dimethoxyquinoline-3-carboxamide Traditional Name: 4-[2-ethyl-3-[(4-piperidylamino)methyl]anilino]-6,7-dimethoxy-quinoline-3-carboxamide Formula: C26H33N5O3 MolecularWeight: 463.57192

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC=C1NC2=C(C=NC3=CC(=C(C=C32)OC)OC)C(=O)N)CNC4CCNCC4

Isomeric SMILES

CCC1=C(C=CC=C1NC2=C(C=NC3=CC(=C(C=C32)OC)OC)C(=O)N)CNC4CCNCC4

InChI

InChI=1S/C26H33N5O3/c1-4-18-16(14-29-17-8-10-28-11-9-17)6-5-7-21(18)31-25-19-12-23(33-2)24(34-3)13-22(19)30-15-20(25)26(27)32/h5-7,12-13,15,17,28-29H,4,8-11,14H2,1-3H3,(H2,27,32)(H,30,31)