4-azanyl-5-chloranyl-N-(1,2-diethylpyrazolidin-4-yl)-2-methoxy-benzamide; (E)-but-2-enedioic acid

Systemtic Name: 4-azanyl-5-chloranyl-N-(1,2-diethylpyrazolidin-4-yl)-2-methoxy-benzamide; (E)-but-2-enedioic acid Openeye Name: 4-amino-5-chloro-N-(1,2-diethylpyrazolidin-4-yl)-2-methoxy-benzamide; fumaric acid CAS Name: 4-amino-5-chloro-N-(1,2-diethyl-4-pyrazolidinyl)-2-methoxybenzamide; (E)-2-butenedioic acid IUPAC Name: 4-amino-5-chloro-N-(1,2-diethylpyrazolidin-4-yl)-2-methoxybenzamide; (E)-but-2-enedioic acid Traditional Name: 4-amino-5-chloro-N-(1,2-diethylpyrazolidin-4-yl)-2-methoxy-benzamide; fumaric acid Formula: C19H27ClN4O6 MolecularWeight: 442.89388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CC(CN1CC)NC(=O)C2=CC(=C(C=C2OC)N)Cl.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCN1CC(CN1CC)NC(=O)C2=CC(=C(C=C2OC)N)Cl.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C15H23ClN4O2.C4H4O4/c1-4-19-8-10(9-20(19)5-2)18-15(21)11-6-12(16)13(17)7-14(11)22-3;5-3(6)1-2-4(7)8/h6-7,10H,4-5,8-9,17H2,1-3H3,(H,18,21);1-2H,(H,5,6)(H,7,8)/b;2-1+