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

Systemtic Name: N-[2-[4-(1,3-benzodioxol-5-ylcarbonyl)-1,4-diazepan-1-yl]-5-piperazin-1-ylcarbonyl-phenyl]-3-fluoranyl-benzamide Openeye Name: N-[2-[4-(1,3-benzodioxole-5-carbonyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]-3-fluoro-benzamide CAS Name: N-[2-[4-[1,3-benzodioxol-5-yl(oxo)methyl]-1,4-diazepan-1-yl]-5-[oxo(1-piperazinyl)methyl]phenyl]-3-fluorobenzamide IUPAC Name: N-[2-[4-(1,3-benzodioxole-5-carbonyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]-3-fluorobenzamide Traditional Name: 3-fluoro-N-[5-(piperazine-1-carbonyl)-2-(4-piperonyloyl-1,4-diazepan-1-yl)phenyl]benzamide Formula: C31H32FN5O5 MolecularWeight: 573.614683

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC3=C(C=C2)OCO3)C4=C(C=C(C=C4)C(=O)N5CCNCC5)NC(=O)C6=CC(=CC=C6)F

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC3=C(C=C2)OCO3)C4=C(C=C(C=C4)C(=O)N5CCNCC5)NC(=O)C6=CC(=CC=C6)F

InChI

InChI=1S/C31H32FN5O5/c32-24-4-1-3-21(17-24)29(38)34-25-18-22(30(39)37-13-9-33-10-14-37)5-7-26(25)35-11-2-12-36(16-15-35)31(40)23-6-8-27-28(19-23)42-20-41-27/h1,3-8,17-19,33H,2,9-16,20H2,(H,34,38)