4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-7-methoxy-5H-pyrimido[5,4-b]indole

Systemtic Name: 4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-7-methoxy-5H-pyrimido[5,4-b]indole Openeye Name: 4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-7-methoxy-5H-pyrimido[5,4-b]indole CAS Name: 4-[4-(3,4-dichlorophenyl)-1-piperazinyl]-7-methoxy-5H-pyrimido[5,4-b]indole IUPAC Name: 4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-7-methoxy-5H-pyrimido[5,4-b]indole Traditional Name: 4-[4-(3,4-dichlorophenyl)piperazino]-7-methoxy-5H-pyrimid[5,4-b]indole Formula: C21H19Cl2N5O MolecularWeight: 428.31446

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H19Cl2N5O/c1-29-14-3-4-15-18(11-14)26-20-19(15)24-12-25-21(20)28-8-6-27(7-9-28)13-2-5-16(22)17(23)10-13/h2-5,10-12,26H,6-9H2,1H3