2-chloroethyl 4-(3-chloranyl-5H-benzo[b][1,4]benzodiazepin-6-yl)piperazine-1-carboxylate

Systemtic Name: 2-chloroethyl 4-(3-chloranyl-5H-benzo[b][1,4]benzodiazepin-6-yl)piperazine-1-carboxylate Openeye Name: 2-chloroethyl 4-(3-chloro-5H-benzo[b][1,4]benzodiazepin-6-yl)piperazine-1-carboxylate CAS Name: 4-(3-chloro-5H-benzo[b][1,4]benzodiazepin-6-yl)-1-piperazinecarboxylic acid 2-chloroethyl ester IUPAC Name: 2-chloroethyl 4-(3-chloro-5H-benzo[b][1,4]benzodiazepin-6-yl)piperazine-1-carboxylate Traditional Name: 4-(3-chloro-5H-benzo[b][1,4]benzodiazepin-6-yl)piperazine-1-carboxylic acid 2-chloroethyl ester Formula: C20H20Cl2N4O2 MolecularWeight: 419.3044

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C3C=CC=CC3=NC4=C(N2)C=C(C=C4)Cl)C(=O)OCCCl

Isomeric SMILES

C1CN(CCN1C2=C3C=CC=CC3=NC4=C(N2)C=C(C=C4)Cl)C(=O)OCCCl

InChI

InChI=1S/C20H20Cl2N4O2/c21-7-12-28-20(27)26-10-8-25(9-11-26)19-15-3-1-2-4-16(15)23-17-6-5-14(22)13-18(17)24-19/h1-6,13,24H,7-12H2