8-bromanyl-4-[4-(diphenylmethyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole

Systemtic Name: 8-bromanyl-4-[4-(diphenylmethyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole Openeye Name: 4-(4-benzhydrylpiperazin-1-yl)-8-bromo-5H-pyrimido[5,4-b]indole CAS Name: 8-bromo-4-[4-(diphenylmethyl)-1-piperazinyl]-5H-pyrimido[5,4-b]indole IUPAC Name: 4-(4-benzhydrylpiperazin-1-yl)-8-bromo-5H-pyrimido[5,4-b]indole Traditional Name: 4-(4-benzhydrylpiperazino)-8-bromo-5H-pyrimid[5,4-b]indole Formula: C27H24BrN5 MolecularWeight: 498.41696

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=NC3=C2NC4=C3C=C(C=C4)Br)C(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1C2=NC=NC3=C2NC4=C3C=C(C=C4)Br)C(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C27H24BrN5/c28-21-11-12-23-22(17-21)24-25(31-23)27(30-18-29-24)33-15-13-32(14-16-33)26(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-12,17-18,26,31H,13-16H2