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

Systemtic Name: (Z)-but-2-enedioic acid; 7-chloranyl-1-[3-[4-(2-ethoxyethyl)piperazin-1-yl]propyl]-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-one Openeye Name: 7-chloro-1-[3-[4-(2-ethoxyethyl)piperazin-1-yl]propyl]-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-one; maleic acid CAS Name: (Z)-2-butenedioic acid; 7-chloro-1-[3-[4-(2-ethoxyethyl)-1-piperazinyl]propyl]-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-one IUPAC Name: (Z)-but-2-enedioic acid; 7-chloro-1-[3-[4-(2-ethoxyethyl)piperazin-1-yl]propyl]-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-one Traditional Name: 7-chloro-1-[3-[4-(2-ethoxyethyl)piperazino]propyl]-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-one; maleic acid Formula: C30H36ClFN4O6 MolecularWeight: 603.081443

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1CCN(CC1)CCCN2C(=O)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4F.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCOCCN1CCN(CC1)CCCN2C(=O)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4F.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C26H32ClFN4O2.C4H4O4/c1-2-34-17-16-31-14-12-30(13-15-31)10-5-11-32-24-9-8-20(27)18-22(24)26(29-19-25(32)33)21-6-3-4-7-23(21)28;5-3(6)1-2-4(7)8/h3-4,6-9,18H,2,5,10-17,19H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-