N-(1,3-benzodioxol-5-ylmethyl)-1-[6-[(3-bromophenyl)amino]pyrimidin-4-yl]pyrrolidine-2-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[6-[(3-bromophenyl)amino]pyrimidin-4-yl]pyrrolidine-2-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[6-(3-bromoanilino)pyrimidin-4-yl]pyrrolidine-2-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[6-(3-bromoanilino)-4-pyrimidinyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[6-(3-bromoanilino)pyrimidin-4-yl]pyrrolidine-2-carboxamide Traditional Name: 1-[6-(3-bromoanilino)pyrimidin-4-yl]-N-piperonyl-pyrrolidine-2-carboxamide Formula: C23H22BrN5O3 MolecularWeight: 496.35648

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=CC(=NC=N2)NC3=CC(=CC=C3)Br)C(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CC(N(C1)C2=CC(=NC=N2)NC3=CC(=CC=C3)Br)C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H22BrN5O3/c24-16-3-1-4-17(10-16)28-21-11-22(27-13-26-21)29-8-2-5-18(29)23(30)25-12-15-6-7-19-20(9-15)32-14-31-19/h1,3-4,6-7,9-11,13,18H,2,5,8,12,14H2,(H,25,30)(H,26,27,28)