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

Systemtic Name: 4-[4-(diphenylmethyl)piperazin-1-yl]-7-methoxy-5H-pyrimido[5,4-b]indole Openeye Name: 4-(4-benzhydrylpiperazin-1-yl)-7-methoxy-5H-pyrimido[5,4-b]indole CAS Name: 4-[4-(diphenylmethyl)-1-piperazinyl]-7-methoxy-5H-pyrimido[5,4-b]indole IUPAC Name: 4-(4-benzhydrylpiperazin-1-yl)-7-methoxy-5H-pyrimido[5,4-b]indole Traditional Name: 4-(4-benzhydrylpiperazino)-7-methoxy-5H-pyrimid[5,4-b]indole Formula: C28H27N5O MolecularWeight: 449.54688

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C3=C(N2)C(=NC=N3)N4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

COC1=CC2=C(C=C1)C3=C(N2)C(=NC=N3)N4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C28H27N5O/c1-34-22-12-13-23-24(18-22)31-26-25(23)29-19-30-28(26)33-16-14-32(15-17-33)27(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-13,18-19,27,31H,14-17H2,1H3