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

Systemtic Name: N-[(3S)-2-oxidanylideneazepan-3-yl]-1-(3-phenylpropyl)-1,2,3-triazole-4-carboxamide Openeye Name: N-[(3S)-2-oxoazepan-3-yl]-1-(3-phenylpropyl)triazole-4-carboxamide CAS Name: N-[(3S)-2-oxo-3-azepanyl]-1-(3-phenylpropyl)-4-triazolecarboxamide IUPAC Name: N-[(3S)-2-oxoazepan-3-yl]-1-(3-phenylpropyl)triazole-4-carboxamide Traditional Name: N-[(3S)-2-ketoazepan-3-yl]-1-(3-phenylpropyl)triazole-4-carboxamide Formula: C18H23N5O2 MolecularWeight: 341.40752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NC(=O)C2=CN(N=N2)CCCC3=CC=CC=C3

Isomeric SMILES

C1CCNC(=O)[C@H](C1)NC(=O)C2=CN(N=N2)CCCC3=CC=CC=C3

InChI

InChI=1S/C18H23N5O2/c24-17-15(10-4-5-11-19-17)20-18(25)16-13-23(22-21-16)12-6-9-14-7-2-1-3-8-14/h1-3,7-8,13,15H,4-6,9-12H2,(H,19,24)(H,20,25)/t15-/m0/s1