N-[1-[4-[(4S)-4-phenylazepan-1-yl]carbonylphenyl]pyrazol-4-yl]furan-3-carboxamide

Systemtic Name: N-[1-[4-[(4S)-4-phenylazepan-1-yl]carbonylphenyl]pyrazol-4-yl]furan-3-carboxamide Openeye Name: N-[1-[4-[(4S)-4-phenylazepane-1-carbonyl]phenyl]pyrazol-4-yl]furan-3-carboxamide CAS Name: N-[1-[4-[oxo-[(4S)-4-phenyl-1-azepanyl]methyl]phenyl]-4-pyrazolyl]-3-furancarboxamide IUPAC Name: N-[1-[4-[(4S)-4-phenylazepane-1-carbonyl]phenyl]pyrazol-4-yl]furan-3-carboxamide Traditional Name: N-[1-[4-[(4S)-4-phenylazepane-1-carbonyl]phenyl]pyrazol-4-yl]-3-furamide Formula: C27H26N4O3 MolecularWeight: 454.52034

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCN(C1)C(=O)C2=CC=C(C=C2)N3C=C(C=N3)NC(=O)C4=COC=C4)C5=CC=CC=C5

Isomeric SMILES

C1C[C@@H](CCN(C1)C(=O)C2=CC=C(C=C2)N3C=C(C=N3)NC(=O)C4=COC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H26N4O3/c32-26(23-13-16-34-19-23)29-24-17-28-31(18-24)25-10-8-22(9-11-25)27(33)30-14-4-7-21(12-15-30)20-5-2-1-3-6-20/h1-3,5-6,8-11,13,16-19,21H,4,7,12,14-15H2,(H,29,32)/t21-/m0/s1