N-[2-(azepan-1-yl)phenyl]-4-(2,5-dimethylfuran-3-yl)carbonyl-piperazine-1-carboxamide

Systemtic Name: N-[2-(azepan-1-yl)phenyl]-4-(2,5-dimethylfuran-3-yl)carbonyl-piperazine-1-carboxamide Openeye Name: N-[2-(azepan-1-yl)phenyl]-4-(2,5-dimethylfuran-3-carbonyl)piperazine-1-carboxamide CAS Name: N-[2-(1-azepanyl)phenyl]-4-[(2,5-dimethyl-3-furanyl)-oxomethyl]-1-piperazinecarboxamide IUPAC Name: N-[2-(azepan-1-yl)phenyl]-4-(2,5-dimethylfuran-3-carbonyl)piperazine-1-carboxamide Traditional Name: N-[2-(azepan-1-yl)phenyl]-4-(2,5-dimethyl-3-furoyl)piperazine-1-carboxamide Formula: C24H32N4O3 MolecularWeight: 424.53588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(O1)C)C(=O)N2CCN(CC2)C(=O)NC3=CC=CC=C3N4CCCCCC4

Isomeric SMILES

CC1=CC(=C(O1)C)C(=O)N2CCN(CC2)C(=O)NC3=CC=CC=C3N4CCCCCC4

InChI

InChI=1S/C24H32N4O3/c1-18-17-20(19(2)31-18)23(29)27-13-15-28(16-14-27)24(30)25-21-9-5-6-10-22(21)26-11-7-3-4-8-12-26/h5-6,9-10,17H,3-4,7-8,11-16H2,1-2H3,(H,25,30)