N-(1,3-benzodioxol-5-ylmethyl)-1-(2-imidazol-1-ylpyrimidin-4-yl)indole-6-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(2-imidazol-1-ylpyrimidin-4-yl)indole-6-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(2-imidazol-1-ylpyrimidin-4-yl)indole-6-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[2-(1-imidazolyl)-4-pyrimidinyl]-6-indolecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(2-imidazol-1-ylpyrimidin-4-yl)indole-6-carboxamide Traditional Name: 1-(2-imidazol-1-ylpyrimidin-4-yl)-N-piperonyl-indole-6-carboxamide Formula: C24H18N6O3 MolecularWeight: 438.43812

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC4=C(C=C3)C=CN4C5=NC(=NC=C5)N6C=CN=C6

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC4=C(C=C3)C=CN4C5=NC(=NC=C5)N6C=CN=C6

InChI

InChI=1S/C24H18N6O3/c31-23(27-13-16-1-4-20-21(11-16)33-15-32-20)18-3-2-17-6-9-30(19(17)12-18)22-5-7-26-24(28-22)29-10-8-25-14-29/h1-12,14H,13,15H2,(H,27,31)