(Z)-but-2-enedioic acid; 7-chloranyl-1-(2-morpholin-4-ylethyl)-5-phenyl-3H-1,4-benzodiazepin-2-one

Systemtic Name: (Z)-but-2-enedioic acid; 7-chloranyl-1-(2-morpholin-4-ylethyl)-5-phenyl-3H-1,4-benzodiazepin-2-one Openeye Name: 7-chloro-1-(2-morpholinoethyl)-5-phenyl-3H-1,4-benzodiazepin-2-one; maleic acid CAS Name: (Z)-2-butenedioic acid; 7-chloro-1-[2-(4-morpholinyl)ethyl]-5-phenyl-3H-1,4-benzodiazepin-2-one IUPAC Name: (Z)-but-2-enedioic acid; 7-chloro-1-(2-morpholin-4-ylethyl)-5-phenyl-3H-1,4-benzodiazepin-2-one Traditional Name: 7-chloro-1-(2-morpholinoethyl)-5-phenyl-3H-1,4-benzodiazepin-2-one; maleic acid Formula: C25H26ClN3O6 MolecularWeight: 499.94344

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCN2C(=O)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1COCCN1CCN2C(=O)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C21H22ClN3O2.C4H4O4/c22-17-6-7-19-18(14-17)21(16-4-2-1-3-5-16)23-15-20(26)25(19)9-8-24-10-12-27-13-11-24;5-3(6)1-2-4(7)8/h1-7,14H,8-13,15H2;1-2H,(H,5,6)(H,7,8)/b;2-1-