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

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole Openeye Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole CAS Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-5H-pyrimido[5,4-b]indole IUPAC Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole Traditional Name: 4-(4-piperonylpiperazino)-5H-pyrimid[5,4-b]indole Formula: C22H21N5O2 MolecularWeight: 387.43444

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC=NC5=C4NC6=CC=CC=C65

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC=NC5=C4NC6=CC=CC=C65

InChI

InChI=1S/C22H21N5O2/c1-2-4-17-16(3-1)20-21(25-17)22(24-13-23-20)27-9-7-26(8-10-27)12-15-5-6-18-19(11-15)29-14-28-18/h1-6,11,13,25H,7-10,12,14H2