4-[4-(4-methoxyphenyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole-8-carbaldehyde

Systemtic Name: 4-[4-(4-methoxyphenyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole-8-carbaldehyde Openeye Name: 4-[4-(4-methoxyphenyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole-8-carbaldehyde CAS Name: 4-[4-(4-methoxyphenyl)-1-piperazinyl]-5H-pyrimido[5,4-b]indole-8-carboxaldehyde IUPAC Name: 4-[4-(4-methoxyphenyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole-8-carbaldehyde Traditional Name: 4-[4-(4-methoxyphenyl)piperazino]-5H-pyrimid[5,4-b]indole-8-carbaldehyde Formula: C22H21N5O2 MolecularWeight: 387.43444

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C3=NC=NC4=C3NC5=C4C=C(C=C5)C=O

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C3=NC=NC4=C3NC5=C4C=C(C=C5)C=O

InChI

InChI=1S/C22H21N5O2/c1-29-17-5-3-16(4-6-17)26-8-10-27(11-9-26)22-21-20(23-14-24-22)18-12-15(13-28)2-7-19(18)25-21/h2-7,12-14,25H,8-11H2,1H3