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

Systemtic Name: undecyl 4-(3-chloranyl-5H-benzo[b][1,4]benzodiazepin-6-yl)piperazine-1-carboxylate Openeye Name: undecyl 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 undecyl ester IUPAC Name: undecyl 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 undecyl ester Formula: C29H39ClN4O2 MolecularWeight: 511.09856

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCOC(=O)N1CCN(CC1)C2=C3C=CC=CC3=NC4=C(N2)C=C(C=C4)Cl

Isomeric SMILES

CCCCCCCCCCCOC(=O)N1CCN(CC1)C2=C3C=CC=CC3=NC4=C(N2)C=C(C=C4)Cl

InChI

InChI=1S/C29H39ClN4O2/c1-2-3-4-5-6-7-8-9-12-21-36-29(35)34-19-17-33(18-20-34)28-24-13-10-11-14-25(24)31-26-16-15-23(30)22-27(26)32-28/h10-11,13-16,22,32H,2-9,12,17-21H2,1H3