2-[4-[5-nitro-6-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)pyrimidin-4-yl]piperazin-1-yl]phenol

Systemtic Name: 2-[4-[5-nitro-6-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)pyrimidin-4-yl]piperazin-1-yl]phenol Openeye Name: 2-[4-[5-nitro-6-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)pyrimidin-4-yl]piperazin-1-yl]phenol CAS Name: 2-[4-[5-nitro-6-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-4-pyrimidinyl]-1-piperazinyl]phenol IUPAC Name: 2-[4-[5-nitro-6-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)pyrimidin-4-yl]piperazin-1-yl]phenol Traditional Name: 2-[4-[5-nitro-6-(1,3,4,9-tetrahydro-$b-carbolin-2-yl)pyrimidin-4-yl]piperazino]phenol Formula: C25H25N7O3 MolecularWeight: 471.5111

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C3=CC=CC=C3N2)C4=C(C(=NC=N4)N5CCN(CC5)C6=CC=CC=C6O)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC2=C1C3=CC=CC=C3N2)C4=C(C(=NC=N4)N5CCN(CC5)C6=CC=CC=C6O)[N+](=O)[O-]

InChI

InChI=1S/C25H25N7O3/c33-22-8-4-3-7-21(22)29-11-13-30(14-12-29)24-23(32(34)35)25(27-16-26-24)31-10-9-18-17-5-1-2-6-19(17)28-20(18)15-31/h1-8,16,28,33H,9-15H2