N-[2-(4-cyclopropylcarbonylpiperazin-1-yl)-5-(1,4-diazepan-1-ylcarbonyl)phenyl]-4-fluoranyl-benzamide

Systemtic Name: N-[2-(4-cyclopropylcarbonylpiperazin-1-yl)-5-(1,4-diazepan-1-ylcarbonyl)phenyl]-4-fluoranyl-benzamide Openeye Name: N-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-5-(1,4-diazepane-1-carbonyl)phenyl]-4-fluoro-benzamide CAS Name: N-[2-[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]-5-[1,4-diazepan-1-yl(oxo)methyl]phenyl]-4-fluorobenzamide IUPAC Name: N-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-5-(1,4-diazepane-1-carbonyl)phenyl]-4-fluorobenzamide Traditional Name: N-[2-[4-(cyclopropanecarbonyl)piperazino]-5-(1,4-diazepane-1-carbonyl)phenyl]-4-fluoro-benzamide Formula: C27H32FN5O3 MolecularWeight: 493.573083

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4CC4)NC(=O)C5=CC=C(C=C5)F

Isomeric SMILES

C1CNCCN(C1)C(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4CC4)NC(=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C27H32FN5O3/c28-22-7-4-19(5-8-22)25(34)30-23-18-21(27(36)32-12-1-10-29-11-13-32)6-9-24(23)31-14-16-33(17-15-31)26(35)20-2-3-20/h4-9,18,20,29H,1-3,10-17H2,(H,30,34)