4-[4-(3-chlorophenyl)piperazin-1-yl]-9-methoxy-5H-pyrimido[5,4-b]indole

Systemtic Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-9-methoxy-5H-pyrimido[5,4-b]indole Openeye Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-9-methoxy-5H-pyrimido[5,4-b]indole CAS Name: 4-[4-(3-chlorophenyl)-1-piperazinyl]-9-methoxy-5H-pyrimido[5,4-b]indole IUPAC Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-9-methoxy-5H-pyrimido[5,4-b]indole Traditional Name: 4-[4-(3-chlorophenyl)piperazino]-9-methoxy-5H-pyrimid[5,4-b]indole Formula: C21H20ClN5O MolecularWeight: 393.8694

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1C3=C(N2)C(=NC=N3)N4CCN(CC4)C5=CC(=CC=C5)Cl

Isomeric SMILES

COC1=CC=CC2=C1C3=C(N2)C(=NC=N3)N4CCN(CC4)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C21H20ClN5O/c1-28-17-7-3-6-16-18(17)19-20(25-16)21(24-13-23-19)27-10-8-26(9-11-27)15-5-2-4-14(22)12-15/h2-7,12-13,25H,8-11H2,1H3