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

Systemtic Name: (Z)-but-2-enedioic acid; 7-chloranyl-5-phenyl-1-(2-piperidin-1-ylethyl)-3H-1,4-benzodiazepin-2-one Openeye Name: 7-chloro-5-phenyl-1-[2-(1-piperidyl)ethyl]-3H-1,4-benzodiazepin-2-one; maleic acid CAS Name: (Z)-2-butenedioic acid; 7-chloro-5-phenyl-1-[2-(1-piperidinyl)ethyl]-3H-1,4-benzodiazepin-2-one IUPAC Name: (Z)-but-2-enedioic acid; 7-chloro-5-phenyl-1-(2-piperidin-1-ylethyl)-3H-1,4-benzodiazepin-2-one Traditional Name: 7-chloro-5-phenyl-1-(2-piperidinoethyl)-3H-1,4-benzodiazepin-2-one; maleic acid Formula: C26H28ClN3O5 MolecularWeight: 497.97062

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCN2C(=O)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CCN(CC1)CCN2C(=O)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C22H24ClN3O.C4H4O4/c23-18-9-10-20-19(15-18)22(17-7-3-1-4-8-17)24-16-21(27)26(20)14-13-25-11-5-2-6-12-25;5-3(6)1-2-4(7)8/h1,3-4,7-10,15H,2,5-6,11-14,16H2;1-2H,(H,5,6)(H,7,8)/b;2-1-