4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-[4-(dimethylamino)piperidin-1-yl]carbonyl-8-methyl-quinoline-3-carboxamide

Systemtic Name: 4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-[4-(dimethylamino)piperidin-1-yl]carbonyl-8-methyl-quinoline-3-carboxamide Openeye Name: 4-(2,3-dihydrobenzofuran-4-ylamino)-6-[4-(dimethylamino)piperidine-1-carbonyl]-8-methyl-quinoline-3-carboxamide CAS Name: 4-(2,3-dihydrobenzofuran-4-ylamino)-6-[[4-(dimethylamino)-1-piperidinyl]-oxomethyl]-8-methyl-3-quinolinecarboxamide IUPAC Name: 4-(2,3-dihydro-1-benzofuran-4-ylamino)-6-[4-(dimethylamino)piperidine-1-carbonyl]-8-methylquinoline-3-carboxamide Traditional Name: 4-(coumaran-4-ylamino)-6-[4-(dimethylamino)piperidine-1-carbonyl]-8-methyl-quinoline-3-carboxamide Formula: C27H31N5O3 MolecularWeight: 473.56674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1)C(=O)N3CCC(CC3)N(C)C)C(=C(C=N2)C(=O)N)NC4=C5CCOC5=CC=C4

Isomeric SMILES

CC1=C2C(=CC(=C1)C(=O)N3CCC(CC3)N(C)C)C(=C(C=N2)C(=O)N)NC4=C5CCOC5=CC=C4

InChI

InChI=1S/C27H31N5O3/c1-16-13-17(27(34)32-10-7-18(8-11-32)31(2)3)14-20-24(16)29-15-21(26(28)33)25(20)30-22-5-4-6-23-19(22)9-12-35-23/h4-6,13-15,18H,7-12H2,1-3H3,(H2,28,33)(H,29,30)