1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(2-fluorophenyl)methyl]pyrrole-2-carboxamide

Systemtic Name: 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(2-fluorophenyl)methyl]pyrrole-2-carboxamide Openeye Name: 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(2-fluorophenyl)methyl]pyrrole-2-carboxamide CAS Name: 1-[5-(1-azepanyl)-1,3,4-thiadiazol-2-yl]-N-[(2-fluorophenyl)methyl]-2-pyrrolecarboxamide IUPAC Name: 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(2-fluorophenyl)methyl]pyrrole-2-carboxamide Traditional Name: 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-(2-fluorobenzyl)pyrrole-2-carboxamide Formula: C20H22FN5OS MolecularWeight: 399.484983

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NN=C(S2)N3C=CC=C3C(=O)NCC4=CC=CC=C4F

Isomeric SMILES

C1CCCN(CC1)C2=NN=C(S2)N3C=CC=C3C(=O)NCC4=CC=CC=C4F

InChI

InChI=1S/C20H22FN5OS/c21-16-9-4-3-8-15(16)14-22-18(27)17-10-7-13-26(17)20-24-23-19(28-20)25-11-5-1-2-6-12-25/h3-4,7-10,13H,1-2,5-6,11-12,14H2,(H,22,27)