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

Systemtic Name: heptyl 4-(3-chloranyl-5H-benzo[b][1,4]benzodiazepin-6-yl)piperazine-1-carboxylate Openeye Name: heptyl 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 heptyl ester IUPAC Name: heptyl 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 heptyl ester Formula: C25H31ClN4O2 MolecularWeight: 454.99224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31ClN4O2/c1-2-3-4-5-8-17-32-25(31)30-15-13-29(14-16-30)24-20-9-6-7-10-21(20)27-22-12-11-19(26)18-23(22)28-24/h6-7,9-12,18,28H,2-5,8,13-17H2,1H3