(E)-but-2-enedioic acid; 11-(1-methylpiperidin-4-ylidene)-5-(phenylmethyl)-6H-benzo[c][1]benzazepine

Systemtic Name: (E)-but-2-enedioic acid; 11-(1-methylpiperidin-4-ylidene)-5-(phenylmethyl)-6H-benzo[c][1]benzazepine Openeye Name: 5-benzyl-11-(1-methyl-4-piperidylidene)-6H-benzo[c][1]benzazepine; fumaric acid CAS Name: (E)-2-butenedioic acid; 11-(1-methyl-4-piperidinylidene)-5-(phenylmethyl)-6H-benzo[c][1]benzazepine IUPAC Name: 5-benzyl-11-(1-methylpiperidin-4-ylidene)-6H-benzo[c][1]benzazepine; (E)-but-2-enedioic acid Traditional Name: 5-benzyl-11-(1-methyl-4-piperidylidene)-6H-benzo[c][1]benzazepine; fumaric acid Formula: C31H32N2O4 MolecularWeight: 496.59678

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(=C2C3=CC=CC=C3CN(C4=CC=CC=C42)CC5=CC=CC=C5)CC1.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCC(=C2C3=CC=CC=C3CN(C4=CC=CC=C42)CC5=CC=CC=C5)CC1.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C27H28N2.C4H4O4/c1-28-17-15-22(16-18-28)27-24-12-6-5-11-23(24)20-29(19-21-9-3-2-4-10-21)26-14-8-7-13-25(26)27;5-3(6)1-2-4(7)8/h2-14H,15-20H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+