ethyl 4-(3-chloranyl-5H-benzo[b][1,4]benzodiazepin-6-yl)piperidine-1-carboxylate

Systemtic Name: ethyl 4-(3-chloranyl-5H-benzo[b][1,4]benzodiazepin-6-yl)piperidine-1-carboxylate Openeye Name: ethyl 4-(3-chloro-5H-benzo[b][1,4]benzodiazepin-6-yl)piperidine-1-carboxylate CAS Name: 4-(3-chloro-5H-benzo[b][1,4]benzodiazepin-6-yl)-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-chloro-5H-benzo[b][1,4]benzodiazepin-6-yl)piperidine-1-carboxylate Traditional Name: 4-(3-chloro-5H-benzo[b][1,4]benzodiazepin-6-yl)piperidine-1-carboxylic acid ethyl ester Formula: C21H22ClN3O2 MolecularWeight: 383.87128

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)C2=C3C=CC=CC3=NC4=C(N2)C=C(C=C4)Cl

Isomeric SMILES

CCOC(=O)N1CCC(CC1)C2=C3C=CC=CC3=NC4=C(N2)C=C(C=C4)Cl

InChI

InChI=1S/C21H22ClN3O2/c1-2-27-21(26)25-11-9-14(10-12-25)20-16-5-3-4-6-17(16)23-18-8-7-15(22)13-19(18)24-20/h3-8,13-14,24H,2,9-12H2,1H3