4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-9-chloranyl-5H-pyrimido[5,4-b]indole

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-9-chloranyl-5H-pyrimido[5,4-b]indole Openeye Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-9-chloro-5H-pyrimido[5,4-b]indole CAS Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-9-chloro-5H-pyrimido[5,4-b]indole IUPAC Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-9-chloro-5H-pyrimido[5,4-b]indole Traditional Name: 9-chloro-4-(4-piperonylpiperazino)-5H-pyrimid[5,4-b]indole Formula: C22H20ClN5O2 MolecularWeight: 421.8795

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC=NC5=C4NC6=C5C(=CC=C6)Cl

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC=NC5=C4NC6=C5C(=CC=C6)Cl

InChI

InChI=1S/C22H20ClN5O2/c23-15-2-1-3-16-19(15)20-21(26-16)22(25-12-24-20)28-8-6-27(7-9-28)11-14-4-5-17-18(10-14)30-13-29-17/h1-5,10,12,26H,6-9,11,13H2