N-[4-(azepan-1-yl)phenyl]-4-oxidanylidene-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-4-oxidanylidene-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide CAS Name: N-[4-(1-azepanyl)phenyl]-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-4-keto-4-(3-phenyl-2-pyrazolin-1-yl)butyramide Formula: C25H30N4O2 MolecularWeight: 418.5313

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)CCC(=O)N3CCC(=N3)C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)CCC(=O)N3CCC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C25H30N4O2/c30-24(26-21-10-12-22(13-11-21)28-17-6-1-2-7-18-28)14-15-25(31)29-19-16-23(27-29)20-8-4-3-5-9-20/h3-5,8-13H,1-2,6-7,14-19H2,(H,26,30)