(Z)-but-2-enedioic acid; 7-chloranyl-5-(2-fluorophenyl)-1-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]-3H-1,4-benzodiazepin-2-one

Systemtic Name: (Z)-but-2-enedioic acid; 7-chloranyl-5-(2-fluorophenyl)-1-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]-3H-1,4-benzodiazepin-2-one Openeye Name: 7-chloro-5-(2-fluorophenyl)-1-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]-3H-1,4-benzodiazepin-2-one; maleic acid CAS Name: (Z)-2-butenedioic acid; 7-chloro-5-(2-fluorophenyl)-1-[3-[4-(2-hydroxyethyl)-1-piperazinyl]propyl]-3H-1,4-benzodiazepin-2-one IUPAC Name: (Z)-but-2-enedioic acid; 7-chloro-5-(2-fluorophenyl)-1-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]-3H-1,4-benzodiazepin-2-one Traditional Name: 7-chloro-5-(2-fluorophenyl)-1-[3-[4-(2-hydroxyethyl)piperazino]propyl]-3H-1,4-benzodiazepin-2-one; maleic acid Formula: C28H32ClFN4O6 MolecularWeight: 575.028283

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCN2C(=O)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4F)CCO.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CN(CCN1CCCN2C(=O)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4F)CCO.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C24H28ClFN4O2.C4H4O4/c25-18-6-7-22-20(16-18)24(19-4-1-2-5-21(19)26)27-17-23(32)30(22)9-3-8-28-10-12-29(13-11-28)14-15-31;5-3(6)1-2-4(7)8/h1-2,4-7,16,31H,3,8-15,17H2;1-2H,(H,5,6)(H,7,8)/b;2-1-