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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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