4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-7-chloranyl-2-methyl-3H-1,5-benzodiazepine

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-7-chloranyl-2-methyl-3H-1,5-benzodiazepine Openeye Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-7-chloro-2-methyl-3H-1,5-benzodiazepine CAS Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-7-chloro-2-methyl-3H-1,5-benzodiazepine IUPAC Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-7-chloro-2-methyl-3H-1,5-benzodiazepine Traditional Name: 7-chloro-2-methyl-4-(4-piperonylpiperazino)-3H-1,5-benzodiazepine Formula: C22H23ClN4O2 MolecularWeight: 410.89662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)Cl)N=C(C1)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)Cl)N=C(C1)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H23ClN4O2/c1-15-10-22(25-19-12-17(23)3-4-18(19)24-15)27-8-6-26(7-9-27)13-16-2-5-20-21(11-16)29-14-28-20/h2-5,11-12H,6-10,13-14H2,1H3