N-[5-bromanyl-2-(2,3-dihydroindol-1-yl)phenyl]-4-methyl-piperazine-1-carboxamide; (E)-but-2-enedioic acid

Systemtic Name: N-[5-bromanyl-2-(2,3-dihydroindol-1-yl)phenyl]-4-methyl-piperazine-1-carboxamide; (E)-but-2-enedioic acid Openeye Name: N-(5-bromo-2-indolin-1-yl-phenyl)-4-methyl-piperazine-1-carboxamide; fumaric acid CAS Name: N-[5-bromo-2-(2,3-dihydroindol-1-yl)phenyl]-4-methyl-1-piperazinecarboxamide; (E)-2-butenedioic acid IUPAC Name: N-[5-bromo-2-(2,3-dihydroindol-1-yl)phenyl]-4-methylpiperazine-1-carboxamide; (E)-but-2-enedioic acid Traditional Name: N-(5-bromo-2-indolin-1-yl-phenyl)-4-methyl-piperazine-1-carboxamide; fumaric acid Formula: C24H27BrN4O5 MolecularWeight: 531.39898

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)NC2=C(C=CC(=C2)Br)N3CCC4=CC=CC=C43.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCN(CC1)C(=O)NC2=C(C=CC(=C2)Br)N3CCC4=CC=CC=C43.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C20H23BrN4O.C4H4O4/c1-23-10-12-24(13-11-23)20(26)22-17-14-16(21)6-7-19(17)25-9-8-15-4-2-3-5-18(15)25;5-3(6)1-2-4(7)8/h2-7,14H,8-13H2,1H3,(H,22,26);1-2H,(H,5,6)(H,7,8)/b;2-1+