(E)-but-2-enedioic acid; 11-[3-(dimethylamino)propyl]-3-methoxy-6H-indolo[2,1-c][1,4]benzodiazepin-12-one

Systemtic Name: (E)-but-2-enedioic acid; 11-[3-(dimethylamino)propyl]-3-methoxy-6H-indolo[2,1-c][1,4]benzodiazepin-12-one Openeye Name: 11-[3-(dimethylamino)propyl]-3-methoxy-6H-indolo[2,1-c][1,4]benzodiazepin-12-one; fumaric acid CAS Name: (E)-2-butenedioic acid; 11-[3-(dimethylamino)propyl]-3-methoxy-6H-indolo[2,1-c][1,4]benzodiazepin-12-one IUPAC Name: (E)-but-2-enedioic acid; 11-[3-(dimethylamino)propyl]-3-methoxy-6H-indolo[2,1-c][1,4]benzodiazepin-12-one Traditional Name: 11-[3-(dimethylamino)propyl]-3-methoxy-6H-indolo[2,1-c][1,4]benzodiazepin-12-one; fumaric acid Formula: C26H29N3O6 MolecularWeight: 479.52496

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCN1C2=CC=CC=C2CN3C(=CC4=C3C=C(C=C4)OC)C1=O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(C)CCCN1C2=CC=CC=C2CN3C(=CC4=C3C=C(C=C4)OC)C1=O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C22H25N3O2.C4H4O4/c1-23(2)11-6-12-24-19-8-5-4-7-17(19)15-25-20-14-18(27-3)10-9-16(20)13-21(25)22(24)26;5-3(6)1-2-4(7)8/h4-5,7-10,13-14H,6,11-12,15H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+