1-[(4-fluorophenyl)methyl]-N-[(3S)-2-oxidanylideneazepan-3-yl]-1,2,3-triazole-4-carboxamide

Systemtic Name: 1-[(4-fluorophenyl)methyl]-N-[(3S)-2-oxidanylideneazepan-3-yl]-1,2,3-triazole-4-carboxamide Openeye Name: 1-[(4-fluorophenyl)methyl]-N-[(3S)-2-oxoazepan-3-yl]triazole-4-carboxamide CAS Name: 1-[(4-fluorophenyl)methyl]-N-[(3S)-2-oxo-3-azepanyl]-4-triazolecarboxamide IUPAC Name: 1-[(4-fluorophenyl)methyl]-N-[(3S)-2-oxoazepan-3-yl]triazole-4-carboxamide Traditional Name: 1-(4-fluorobenzyl)-N-[(3S)-2-ketoazepan-3-yl]triazole-4-carboxamide Formula: C16H18FN5O2 MolecularWeight: 331.344823

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NC(=O)C2=CN(N=N2)CC3=CC=C(C=C3)F

Isomeric SMILES

C1CCNC(=O)[C@H](C1)NC(=O)C2=CN(N=N2)CC3=CC=C(C=C3)F

InChI

InChI=1S/C16H18FN5O2/c17-12-6-4-11(5-7-12)9-22-10-14(20-21-22)16(24)19-13-3-1-2-8-18-15(13)23/h4-7,10,13H,1-3,8-9H2,(H,18,23)(H,19,24)/t13-/m0/s1