(E)-but-2-enedioic acid; 3-[1-(phenylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indole-5-carboxamide

Systemtic Name: (E)-but-2-enedioic acid; 3-[1-(phenylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indole-5-carboxamide Openeye Name: 3-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carboxamide; fumaric acid CAS Name: (E)-2-butenedioic acid; 3-[1-(phenylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indole-5-carboxamide IUPAC Name: 3-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carboxamide; (E)-but-2-enedioic acid Traditional Name: 3-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carboxamide; fumaric acid Formula: C25H25N3O5 MolecularWeight: 447.4831

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC=C1C2=CNC3=C2C=C(C=C3)C(=O)N)CC4=CC=CC=C4.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CN(CC=C1C2=CNC3=C2C=C(C=C3)C(=O)N)CC4=CC=CC=C4.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C21H21N3O.C4H4O4/c22-21(25)17-6-7-20-18(12-17)19(13-23-20)16-8-10-24(11-9-16)14-15-4-2-1-3-5-15;5-3(6)1-2-4(7)8/h1-8,12-13,23H,9-11,14H2,(H2,22,25);1-2H,(H,5,6)(H,7,8)/b;2-1+