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

Systemtic Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-7-methyl-5H-pyrimido[5,4-b]indole Openeye Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-7-methyl-5H-pyrimido[5,4-b]indole CAS Name: 4-[4-(3-chlorophenyl)-1-piperazinyl]-7-methyl-5H-pyrimido[5,4-b]indole IUPAC Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-7-methyl-5H-pyrimido[5,4-b]indole Traditional Name: 4-[4-(3-chlorophenyl)piperazino]-7-methyl-5H-pyrimid[5,4-b]indole Formula: C21H20ClN5 MolecularWeight: 377.87

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C3=C(N2)C(=NC=N3)N4CCN(CC4)C5=CC(=CC=C5)Cl

Isomeric SMILES

CC1=CC2=C(C=C1)C3=C(N2)C(=NC=N3)N4CCN(CC4)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C21H20ClN5/c1-14-5-6-17-18(11-14)25-20-19(17)23-13-24-21(20)27-9-7-26(8-10-27)16-4-2-3-15(22)12-16/h2-6,11-13,25H,7-10H2,1H3