N-(3-bromophenyl)-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide

Systemtic Name: N-(3-bromophenyl)-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide Openeye Name: N-(3-bromophenyl)-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide CAS Name: N-(3-bromophenyl)-1-(2,5,6-trimethyl-4-furo[2,3-d]pyrimidinyl)-4-piperidinecarboxamide IUPAC Name: N-(3-bromophenyl)-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide Traditional Name: N-(3-bromophenyl)-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)isonipecotamide Formula: C21H23BrN4O2 MolecularWeight: 443.33692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=NC(=NC(=C12)N3CCC(CC3)C(=O)NC4=CC(=CC=C4)Br)C)C

Isomeric SMILES

CC1=C(OC2=NC(=NC(=C12)N3CCC(CC3)C(=O)NC4=CC(=CC=C4)Br)C)C

InChI

InChI=1S/C21H23BrN4O2/c1-12-13(2)28-21-18(12)19(23-14(3)24-21)26-9-7-15(8-10-26)20(27)25-17-6-4-5-16(22)11-17/h4-6,11,15H,7-10H2,1-3H3,(H,25,27)