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

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethylamino)-2-(2,3-dihydroindol-1-yl)-N-(phenylmethyl)pyrimidine-5-carboxamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethylamino)-N-benzyl-2-indolin-1-yl-pyrimidine-5-carboxamide CAS Name: 4-(1,3-benzodioxol-5-ylmethylamino)-2-(2,3-dihydroindol-1-yl)-N-(phenylmethyl)-5-pyrimidinecarboxamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethylamino)-N-benzyl-2-(2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide Traditional Name: N-benzyl-2-indolin-1-yl-4-(piperonylamino)pyrimidine-5-carboxamide Formula: C28H25N5O3 MolecularWeight: 479.5298

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C21)C3=NC=C(C(=N3)NCC4=CC5=C(C=C4)OCO5)C(=O)NCC6=CC=CC=C6

Isomeric SMILES

C1CN(C2=CC=CC=C21)C3=NC=C(C(=N3)NCC4=CC5=C(C=C4)OCO5)C(=O)NCC6=CC=CC=C6

InChI

InChI=1S/C28H25N5O3/c34-27(30-15-19-6-2-1-3-7-19)22-17-31-28(33-13-12-21-8-4-5-9-23(21)33)32-26(22)29-16-20-10-11-24-25(14-20)36-18-35-24/h1-11,14,17H,12-13,15-16,18H2,(H,30,34)(H,29,31,32)