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

Systemtic Name: 4-[4-(4-chlorophenyl)piperazin-1-yl]-7-methoxy-5H-pyrimido[5,4-b]indole Openeye Name: 4-[4-(4-chlorophenyl)piperazin-1-yl]-7-methoxy-5H-pyrimido[5,4-b]indole CAS Name: 4-[4-(4-chlorophenyl)-1-piperazinyl]-7-methoxy-5H-pyrimido[5,4-b]indole IUPAC Name: 4-[4-(4-chlorophenyl)piperazin-1-yl]-7-methoxy-5H-pyrimido[5,4-b]indole Traditional Name: 4-[4-(4-chlorophenyl)piperazino]-7-methoxy-5H-pyrimid[5,4-b]indole Formula: C21H20ClN5O MolecularWeight: 393.8694

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C3=C(N2)C(=NC=N3)N4CCN(CC4)C5=CC=C(C=C5)Cl

Isomeric SMILES

COC1=CC2=C(C=C1)C3=C(N2)C(=NC=N3)N4CCN(CC4)C5=CC=C(C=C5)Cl

InChI

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