N-[3-chloranyl-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzodiazepin-11-yl]-2-propyl-pentanamide

Systemtic Name: N-[3-chloranyl-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzodiazepin-11-yl]-2-propyl-pentanamide Openeye Name: N-[3-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzodiazepin-11-yl]-2-propyl-pentanamide CAS Name: N-[3-chloro-6-(4-methyl-1-piperazinyl)-11-benzo[b][1,4]benzodiazepinyl]-2-propylpentanamide IUPAC Name: N-[3-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzodiazepin-11-yl]-2-propylpentanamide Traditional Name: N-[3-chloro-6-(4-methylpiperazino)benzo[b][1,4]benzodiazepin-11-yl]-2-propyl-valeramide Formula: C26H34ClN5O MolecularWeight: 468.03406

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)C(=O)NN1C2=C(C=C(C=C2)Cl)N=C(C3=CC=CC=C31)N4CCN(CC4)C

Isomeric SMILES

CCCC(CCC)C(=O)NN1C2=C(C=C(C=C2)Cl)N=C(C3=CC=CC=C31)N4CCN(CC4)C

InChI

InChI=1S/C26H34ClN5O/c1-4-8-19(9-5-2)26(33)29-32-23-11-7-6-10-21(23)25(31-16-14-30(3)15-17-31)28-22-18-20(27)12-13-24(22)32/h6-7,10-13,18-19H,4-5,8-9,14-17H2,1-3H3,(H,29,33)