4-(1,3-benzodioxol-5-ylmethylamino)-2-(2-methyl-2,3-dihydroindol-1-yl)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethylamino)-2-(2-methyl-2,3-dihydroindol-1-yl)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethylamino)-2-(2-methylindolin-1-yl)-N-(2-pyridylmethyl)pyrimidine-5-carboxamide CAS Name: 4-(1,3-benzodioxol-5-ylmethylamino)-2-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-pyridinylmethyl)-5-pyrimidinecarboxamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethylamino)-2-(2-methyl-2,3-dihydroindol-1-yl)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide Traditional Name: 2-(2-methylindolin-1-yl)-4-(piperonylamino)-N-(2-pyridylmethyl)pyrimidine-5-carboxamide Formula: C28H26N6O3 MolecularWeight: 494.54444

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1C3=NC=C(C(=N3)NCC4=CC5=C(C=C4)OCO5)C(=O)NCC6=CC=CC=N6

Isomeric SMILES

CC1CC2=CC=CC=C2N1C3=NC=C(C(=N3)NCC4=CC5=C(C=C4)OCO5)C(=O)NCC6=CC=CC=N6

InChI

InChI=1S/C28H26N6O3/c1-18-12-20-6-2-3-8-23(20)34(18)28-32-16-22(27(35)31-15-21-7-4-5-11-29-21)26(33-28)30-14-19-9-10-24-25(13-19)37-17-36-24/h2-11,13,16,18H,12,14-15,17H2,1H3,(H,31,35)(H,30,32,33)