5,8-dimethyl-4-[4-(4-nitrophenyl)piperazin-1-yl]pyrimido[5,4-b]indole

Systemtic Name: 5,8-dimethyl-4-[4-(4-nitrophenyl)piperazin-1-yl]pyrimido[5,4-b]indole Openeye Name: 5,8-dimethyl-4-[4-(4-nitrophenyl)piperazin-1-yl]pyrimido[5,4-b]indole CAS Name: 5,8-dimethyl-4-[4-(4-nitrophenyl)-1-piperazinyl]pyrimido[5,4-b]indole IUPAC Name: 5,8-dimethyl-4-[4-(4-nitrophenyl)piperazin-1-yl]pyrimido[5,4-b]indole Traditional Name: 5,8-dimethyl-4-[4-(4-nitrophenyl)piperazino]pyrimid[5,4-b]indole Formula: C22H22N6O2 MolecularWeight: 402.44908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C3=C2N=CN=C3N4CCN(CC4)C5=CC=C(C=C5)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC2=C(C=C1)N(C3=C2N=CN=C3N4CCN(CC4)C5=CC=C(C=C5)[N+](=O)[O-])C

InChI

InChI=1S/C22H22N6O2/c1-15-3-8-19-18(13-15)20-21(25(19)2)22(24-14-23-20)27-11-9-26(10-12-27)16-4-6-17(7-5-16)28(29)30/h3-8,13-14H,9-12H2,1-2H3