ethanedioic acid; 2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-N-[1-(3-methylphenyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl]ethanamide

Systemtic Name: ethanedioic acid; 2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-N-[1-(3-methylphenyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl]ethanamide Openeye Name: 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[1-(m-tolyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl]acetamide; oxalic acid CAS Name: 2-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-N-[1-(3-methylphenyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl]acetamide; oxalic acid IUPAC Name: 2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[1-(3-methylphenyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl]acetamide; oxalic acid Traditional Name: 2-[4-(2-furoyl)piperazino]-N-[1-(m-tolyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl]acetamide; oxalic acid Formula: C33H33N5O11 MolecularWeight: 675.64202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCC3=C(C4=CC=CC=C4N=C32)NC(=O)CN5CCN(CC5)C(=O)C6=CC=CO6.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=CC=C1)N2CCC3=C(C4=CC=CC=C4N=C32)NC(=O)CN5CCN(CC5)C(=O)C6=CC=CO6.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C29H29N5O3.2C2H2O4/c1-20-6-4-7-21(18-20)34-12-11-23-27(22-8-2-3-9-24(22)30-28(23)34)31-26(35)19-32-13-15-33(16-14-32)29(36)25-10-5-17-37-25;2*3-1(4)2(5)6/h2-10,17-18H,11-16,19H2,1H3,(H,30,31,35);2*(H,3,4)(H,5,6)