(E)-but-2-enedioic acid; N,N-dimethyl-3-(6-phenylpyrido[3,4-b][1,4]benzodiazepin-11-yl)propan-1-amine

Systemtic Name: (E)-but-2-enedioic acid; N,N-dimethyl-3-(6-phenylpyrido[3,4-b][1,4]benzodiazepin-11-yl)propan-1-amine Openeye Name: N,N-dimethyl-3-(6-phenylpyrido[3,4-b][1,4]benzodiazepin-11-yl)propan-1-amine; fumaric acid CAS Name: (E)-2-butenedioic acid; N,N-dimethyl-3-(6-phenyl-11-pyrido[3,4-b][1,4]benzodiazepinyl)-1-propanamine IUPAC Name: (E)-but-2-enedioic acid; N,N-dimethyl-3-(6-phenylpyrido[3,4-b][1,4]benzodiazepin-11-yl)propan-1-amine Traditional Name: dimethyl-[3-(6-phenylpyrido[3,4-b][1,4]benzodiazepin-11-yl)propyl]amine; fumaric acid Formula: C27H28N4O4 MolecularWeight: 472.53562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCN1C2=CC=CC=C2C(=NC3=C1C=NC=C3)C4=CC=CC=C4.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(C)CCCN1C2=CC=CC=C2C(=NC3=C1C=NC=C3)C4=CC=CC=C4.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C23H24N4.C4H4O4/c1-26(2)15-8-16-27-21-12-7-6-11-19(21)23(18-9-4-3-5-10-18)25-20-13-14-24-17-22(20)27;5-3(6)1-2-4(7)8/h3-7,9-14,17H,8,15-16H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+