N-(1,3-benzodioxol-5-ylmethyl)-2-[(6-imidazol-1-ylpyrimidin-4-yl)amino]-3-phenyl-propanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(6-imidazol-1-ylpyrimidin-4-yl)amino]-3-phenyl-propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(6-imidazol-1-ylpyrimidin-4-yl)amino]-3-phenyl-propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[6-(1-imidazolyl)-4-pyrimidinyl]amino]-3-phenylpropanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(6-imidazol-1-ylpyrimidin-4-yl)amino]-3-phenylpropanamide Traditional Name: 2-[(6-imidazol-1-ylpyrimidin-4-yl)amino]-3-phenyl-N-piperonyl-propionamide Formula: C24H22N6O3 MolecularWeight: 442.46988

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)C(CC3=CC=CC=C3)NC4=NC=NC(=C4)N5C=CN=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)C(CC3=CC=CC=C3)NC4=NC=NC(=C4)N5C=CN=C5

InChI

InChI=1S/C24H22N6O3/c31-24(26-13-18-6-7-20-21(11-18)33-16-32-20)19(10-17-4-2-1-3-5-17)29-22-12-23(28-14-27-22)30-9-8-25-15-30/h1-9,11-12,14-15,19H,10,13,16H2,(H,26,31)(H,27,28,29)