(E)-but-2-enedioic acid; N-(2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)-N'-propan-2-yl-ethanehydrazide

Systemtic Name: (E)-but-2-enedioic acid; N-(2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)-N'-propan-2-yl-ethanehydrazide Openeye Name: fumaric acid; N'-isopropyl-N-(2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)acetohydrazide CAS Name: (E)-2-butenedioic acid; N-(2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)-N'-propan-2-ylacetohydrazide IUPAC Name: (E)-but-2-enedioic acid; N-(2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)-N'-propan-2-ylacetohydrazide Traditional Name: fumaric acid; N'-isopropyl-N-(2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)acetohydrazide Formula: C25H31N3O5 MolecularWeight: 453.53074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NN(C1=CC=CC2=C1CN(CC2C3=CC=CC=C3)C)C(=O)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(C)NN(C1=CC=CC2=C1CN(CC2C3=CC=CC=C3)C)C(=O)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C21H27N3O.C4H4O4/c1-15(2)22-24(16(3)25)21-12-8-11-18-19(13-23(4)14-20(18)21)17-9-6-5-7-10-17;5-3(6)1-2-4(7)8/h5-12,15,19,22H,13-14H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1+