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

Systemtic Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-8-methoxy-5H-pyrimido[5,4-b]indole Openeye Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-8-methoxy-5H-pyrimido[5,4-b]indole CAS Name: 4-[4-(3-chlorophenyl)-1-piperazinyl]-8-methoxy-5H-pyrimido[5,4-b]indole IUPAC Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-8-methoxy-5H-pyrimido[5,4-b]indole Traditional Name: 4-[4-(3-chlorophenyl)piperazino]-8-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)NC3=C2N=CN=C3N4CCN(CC4)C5=CC(=CC=C5)Cl

Isomeric SMILES

COC1=CC2=C(C=C1)NC3=C2N=CN=C3N4CCN(CC4)C5=CC(=CC=C5)Cl

InChI

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