N-[5-[[4-(azepan-1-yl)phenyl]carbamoyl]-2-methyl-phenyl]furan-2-carboxamide

Systemtic Name: N-[5-[[4-(azepan-1-yl)phenyl]carbamoyl]-2-methyl-phenyl]furan-2-carboxamide Openeye Name: N-[5-[[4-(azepan-1-yl)phenyl]carbamoyl]-2-methyl-phenyl]furan-2-carboxamide CAS Name: N-[5-[[4-(1-azepanyl)anilino]-oxomethyl]-2-methylphenyl]-2-furancarboxamide IUPAC Name: N-[5-[[4-(azepan-1-yl)phenyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide Traditional Name: N-[5-[[4-(azepan-1-yl)phenyl]carbamoyl]-2-methyl-phenyl]-2-furamide Formula: C25H27N3O3 MolecularWeight: 417.50018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCCCCC3)NC(=O)C4=CC=CO4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCCCCC3)NC(=O)C4=CC=CO4

InChI

InChI=1S/C25H27N3O3/c1-18-8-9-19(17-22(18)27-25(30)23-7-6-16-31-23)24(29)26-20-10-12-21(13-11-20)28-14-4-2-3-5-15-28/h6-13,16-17H,2-5,14-15H2,1H3,(H,26,29)(H,27,30)