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

Systemtic Name: (Z)-but-2-enedioic acid; 7-chloranyl-5-phenyl-1-(2-piperazin-1-ylethyl)-3H-1,4-benzodiazepin-2-one Openeye Name: 7-chloro-5-phenyl-1-(2-piperazin-1-ylethyl)-3H-1,4-benzodiazepin-2-one; maleic acid CAS Name: (Z)-2-butenedioic acid; 7-chloro-5-phenyl-1-[2-(1-piperazinyl)ethyl]-3H-1,4-benzodiazepin-2-one IUPAC Name: (Z)-but-2-enedioic acid; 7-chloro-5-phenyl-1-(2-piperazin-1-ylethyl)-3H-1,4-benzodiazepin-2-one Traditional Name: 7-chloro-5-phenyl-1-(2-piperazinoethyl)-3H-1,4-benzodiazepin-2-one; maleic acid Formula: C29H31ClN4O9 MolecularWeight: 615.03084

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)CCN2C(=O)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1NCCN(C1)CCN2C3=C(C(=NCC2=O)C4=CC=CC=C4)C=C(C=C3)Cl.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C21H23ClN4O.2C4H4O4/c22-17-6-7-19-18(14-17)21(16-4-2-1-3-5-16)24-15-20(27)26(19)13-12-25-10-8-23-9-11-25;2*5-3(6)1-2-4(7)8/h1-7,14,23H,8-13,15H2;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-