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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=NC(=NC(=C12)N3CCCC(C3)C(=O)NC4=CC(=CC=C4)Br)C)C

Isomeric SMILES

CC1=C(OC2=NC(=NC(=C12)N3CCCC(C3)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)26-9-5-6-15(11-26)20(27)25-17-8-4-7-16(22)10-17/h4,7-8,10,15H,5-6,9,11H2,1-3H3,(H,25,27)