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

Systemtic Name: hexadecyl 4-(3-chloranyl-5H-benzo[b][1,4]benzodiazepin-6-yl)piperazine-1-carboxylate Openeye Name: hexadecyl 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 hexadecyl ester IUPAC Name: hexadecyl 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 cetyl ester Formula: C34H49ClN4O2 MolecularWeight: 581.23146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H49ClN4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-26-41-34(40)39-24-22-38(23-25-39)33-29-18-15-16-19-30(29)36-31-21-20-28(35)27-32(31)37-33/h15-16,18-21,27,37H,2-14,17,22-26H2,1H3