1-(1,3-benzodioxol-5-yl)-2-pyrimidin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-2-pyrimidin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole Openeye Name: 1-(1,3-benzodioxol-5-yl)-2-pyrimidin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole CAS Name: 1-(1,3-benzodioxol-5-yl)-2-(2-pyrimidinyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole IUPAC Name: 1-(1,3-benzodioxol-5-yl)-2-pyrimidin-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole Traditional Name: 1-(1,3-benzodioxol-5-yl)-2-(2-pyrimidyl)-1,3,4,9-tetrahydro-$b-carboline Formula: C22H18N4O2 MolecularWeight: 370.40392

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C2=C1C3=CC=CC=C3N2)C4=CC5=C(C=C4)OCO5)C6=NC=CC=N6

Isomeric SMILES

C1CN(C(C2=C1C3=CC=CC=C3N2)C4=CC5=C(C=C4)OCO5)C6=NC=CC=N6

InChI

InChI=1S/C22H18N4O2/c1-2-5-17-15(4-1)16-8-11-26(22-23-9-3-10-24-22)21(20(16)25-17)14-6-7-18-19(12-14)28-13-27-18/h1-7,9-10,12,21,25H,8,11,13H2