N-[6-(4-cyclopropylcarbonyl-1,4-diazepan-1-yl)pyridin-3-yl]-2,4-bis(fluoranyl)benzamide

Systemtic Name: N-[6-(4-cyclopropylcarbonyl-1,4-diazepan-1-yl)pyridin-3-yl]-2,4-bis(fluoranyl)benzamide Openeye Name: N-[6-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-3-pyridyl]-2,4-difluoro-benzamide CAS Name: N-[6-[4-[cyclopropyl(oxo)methyl]-1,4-diazepan-1-yl]-3-pyridinyl]-2,4-difluorobenzamide IUPAC Name: N-[6-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]pyridin-3-yl]-2,4-difluorobenzamide Traditional Name: N-[6-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-3-pyridyl]-2,4-difluoro-benzamide Formula: C21H22F2N4O2 MolecularWeight: 400.421786

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2CC2)C3=NC=C(C=C3)NC(=O)C4=C(C=C(C=C4)F)F

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2CC2)C3=NC=C(C=C3)NC(=O)C4=C(C=C(C=C4)F)F

InChI

InChI=1S/C21H22F2N4O2/c22-15-4-6-17(18(23)12-15)20(28)25-16-5-7-19(24-13-16)26-8-1-9-27(11-10-26)21(29)14-2-3-14/h4-7,12-14H,1-3,8-11H2,(H,25,28)