N-[2-(4-cyclopropylcarbonyl-1,4-diazepan-1-yl)-5-piperazin-1-ylcarbonyl-phenyl]-3,5-bis(fluoranyl)benzamide

Systemtic Name: N-[2-(4-cyclopropylcarbonyl-1,4-diazepan-1-yl)-5-piperazin-1-ylcarbonyl-phenyl]-3,5-bis(fluoranyl)benzamide Openeye Name: N-[2-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]-3,5-difluoro-benzamide CAS Name: N-[2-[4-[cyclopropyl(oxo)methyl]-1,4-diazepan-1-yl]-5-[oxo(1-piperazinyl)methyl]phenyl]-3,5-difluorobenzamide IUPAC Name: N-[2-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]-3,5-difluorobenzamide Traditional Name: N-[2-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]-3,5-difluoro-benzamide Formula: C27H31F2N5O3 MolecularWeight: 511.563546

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2CC2)C3=C(C=C(C=C3)C(=O)N4CCNCC4)NC(=O)C5=CC(=CC(=C5)F)F

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2CC2)C3=C(C=C(C=C3)C(=O)N4CCNCC4)NC(=O)C5=CC(=CC(=C5)F)F

InChI

InChI=1S/C27H31F2N5O3/c28-21-14-20(15-22(29)17-21)25(35)31-23-16-19(27(37)34-10-6-30-7-11-34)4-5-24(23)32-8-1-9-33(13-12-32)26(36)18-2-3-18/h4-5,14-18,30H,1-3,6-13H2,(H,31,35)