N-[6-[4-(2-fluorophenyl)carbonyl-1,4-diazepan-1-yl]pyridin-3-yl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[6-[4-(2-fluorophenyl)carbonyl-1,4-diazepan-1-yl]pyridin-3-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[6-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]-3-pyridyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[6-[4-[(2-fluorophenyl)-oxomethyl]-1,4-diazepan-1-yl]-3-pyridinyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[6-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[6-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]-3-pyridyl]-piperonylamide Formula: C25H23FN4O4 MolecularWeight: 462.472923

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC=CC=C2F)C3=NC=C(C=C3)NC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC=CC=C2F)C3=NC=C(C=C3)NC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H23FN4O4/c26-20-5-2-1-4-19(20)25(32)30-11-3-10-29(12-13-30)23-9-7-18(15-27-23)28-24(31)17-6-8-21-22(14-17)34-16-33-21/h1-2,4-9,14-15H,3,10-13,16H2,(H,28,31)