(phenylmethyl) 4-(8-chloranyl-5H-benzo[b][1,4]benzodiazepin-6-yl)piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-(8-chloranyl-5H-benzo[b][1,4]benzodiazepin-6-yl)piperidine-1-carboxylate Openeye Name: benzyl 4-(8-chloro-5H-benzo[b][1,4]benzodiazepin-6-yl)piperidine-1-carboxylate CAS Name: 4-(8-chloro-5H-benzo[b][1,4]benzodiazepin-6-yl)-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(8-chloro-5H-benzo[b][1,4]benzodiazepin-6-yl)piperidine-1-carboxylate Traditional Name: 4-(8-chloro-5H-benzo[b][1,4]benzodiazepin-6-yl)piperidine-1-carboxylic acid benzyl ester Formula: C26H24ClN3O2 MolecularWeight: 445.94066

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=C3C=C(C=CC3=NC4=CC=CC=C4N2)Cl)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1C2=C3C=C(C=CC3=NC4=CC=CC=C4N2)Cl)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C26H24ClN3O2/c27-20-10-11-22-21(16-20)25(29-24-9-5-4-8-23(24)28-22)19-12-14-30(15-13-19)26(31)32-17-18-6-2-1-3-7-18/h1-11,16,19,29H,12-15,17H2