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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCN1C2=C(N=CC=C2)N=C(C3=CC=CC=C31)C4=CC=CC=C4.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(C)CCCN1C2=C(N=CC=C2)N=C(C3=CC=CC=C31)C4=CC=CC=C4.C(=C/C(=O)O)\C(=O)O

InChI

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