N-[1-[4-[(4-pyrimidin-2-yl-1,4-diazepan-1-yl)carbonyl]phenyl]pyrazol-4-yl]furan-3-carboxamide

Systemtic Name: N-[1-[4-[(4-pyrimidin-2-yl-1,4-diazepan-1-yl)carbonyl]phenyl]pyrazol-4-yl]furan-3-carboxamide Openeye Name: N-[1-[4-(4-pyrimidin-2-yl-1,4-diazepane-1-carbonyl)phenyl]pyrazol-4-yl]furan-3-carboxamide CAS Name: N-[1-[4-[oxo-[4-(2-pyrimidinyl)-1,4-diazepan-1-yl]methyl]phenyl]-4-pyrazolyl]-3-furancarboxamide IUPAC Name: N-[1-[4-(4-pyrimidin-2-yl-1,4-diazepane-1-carbonyl)phenyl]pyrazol-4-yl]furan-3-carboxamide Traditional Name: N-[1-[4-[4-(2-pyrimidyl)-1,4-diazepane-1-carbonyl]phenyl]pyrazol-4-yl]-3-furamide Formula: C24H23N7O3 MolecularWeight: 457.48452

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC=C(C=C2)N3C=C(C=N3)NC(=O)C4=COC=C4)C5=NC=CC=N5

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC=C(C=C2)N3C=C(C=N3)NC(=O)C4=COC=C4)C5=NC=CC=N5

InChI

InChI=1S/C24H23N7O3/c32-22(19-7-14-34-17-19)28-20-15-27-31(16-20)21-5-3-18(4-6-21)23(33)29-10-2-11-30(13-12-29)24-25-8-1-9-26-24/h1,3-9,14-17H,2,10-13H2,(H,28,32)