4-[4-(3-chlorophenyl)piperazin-1-yl]-7,8-dimethoxy-5H-pyrimido[5,4-b]indole

Systemtic Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-7,8-dimethoxy-5H-pyrimido[5,4-b]indole Openeye Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-7,8-dimethoxy-5H-pyrimido[5,4-b]indole CAS Name: 4-[4-(3-chlorophenyl)-1-piperazinyl]-7,8-dimethoxy-5H-pyrimido[5,4-b]indole IUPAC Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-7,8-dimethoxy-5H-pyrimido[5,4-b]indole Traditional Name: 4-[4-(3-chlorophenyl)piperazino]-7,8-dimethoxy-5H-pyrimid[5,4-b]indole Formula: C22H22ClN5O2 MolecularWeight: 423.89538

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C3=C(N2)C(=NC=N3)N4CCN(CC4)C5=CC(=CC=C5)Cl)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C3=C(N2)C(=NC=N3)N4CCN(CC4)C5=CC(=CC=C5)Cl)OC

InChI

InChI=1S/C22H22ClN5O2/c1-29-18-11-16-17(12-19(18)30-2)26-21-20(16)24-13-25-22(21)28-8-6-27(7-9-28)15-5-3-4-14(23)10-15/h3-5,10-13,26H,6-9H2,1-2H3