N-[6-[4-[(3-fluorophenyl)methyl]-1,4-diazepan-1-yl]pyridin-3-yl]thiophene-2-carboxamide

Systemtic Name: N-[6-[4-[(3-fluorophenyl)methyl]-1,4-diazepan-1-yl]pyridin-3-yl]thiophene-2-carboxamide Openeye Name: N-[6-[4-[(3-fluorophenyl)methyl]-1,4-diazepan-1-yl]-3-pyridyl]thiophene-2-carboxamide CAS Name: N-[6-[4-[(3-fluorophenyl)methyl]-1,4-diazepan-1-yl]-3-pyridinyl]-2-thiophenecarboxamide IUPAC Name: N-[6-[4-[(3-fluorophenyl)methyl]-1,4-diazepan-1-yl]pyridin-3-yl]thiophene-2-carboxamide Traditional Name: N-[6-[4-(3-fluorobenzyl)-1,4-diazepan-1-yl]-3-pyridyl]thiophene-2-carboxamide Formula: C22H23FN4OS MolecularWeight: 410.507623

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C2=NC=C(C=C2)NC(=O)C3=CC=CS3)CC4=CC(=CC=C4)F

Isomeric SMILES

C1CN(CCN(C1)C2=NC=C(C=C2)NC(=O)C3=CC=CS3)CC4=CC(=CC=C4)F

InChI

InChI=1S/C22H23FN4OS/c23-18-5-1-4-17(14-18)16-26-9-3-10-27(12-11-26)21-8-7-19(15-24-21)25-22(28)20-6-2-13-29-20/h1-2,4-8,13-15H,3,9-12,16H2,(H,25,28)