4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-8-ethoxy-5H-pyrimido[5,4-b]indole

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-8-ethoxy-5H-pyrimido[5,4-b]indole Openeye Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-8-ethoxy-5H-pyrimido[5,4-b]indole CAS Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-8-ethoxy-5H-pyrimido[5,4-b]indole IUPAC Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-8-ethoxy-5H-pyrimido[5,4-b]indole Traditional Name: 8-ethoxy-4-(4-piperonylpiperazino)-5H-pyrimid[5,4-b]indole Formula: C24H25N5O3 MolecularWeight: 431.487

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)NC3=C2N=CN=C3N4CCN(CC4)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

CCOC1=CC2=C(C=C1)NC3=C2N=CN=C3N4CCN(CC4)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C24H25N5O3/c1-2-30-17-4-5-19-18(12-17)22-23(27-19)24(26-14-25-22)29-9-7-28(8-10-29)13-16-3-6-20-21(11-16)32-15-31-20/h3-6,11-12,14,27H,2,7-10,13,15H2,1H3