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

Systemtic Name: 1-(naphthalen-1-ylmethyl)-N-[(3S)-2-oxidanylideneazepan-3-yl]-1,2,3-triazole-4-carboxamide Openeye Name: 1-(1-naphthylmethyl)-N-[(3S)-2-oxoazepan-3-yl]triazole-4-carboxamide CAS Name: 1-(1-naphthalenylmethyl)-N-[(3S)-2-oxo-3-azepanyl]-4-triazolecarboxamide IUPAC Name: 1-(naphthalen-1-ylmethyl)-N-[(3S)-2-oxoazepan-3-yl]triazole-4-carboxamide Traditional Name: N-[(3S)-2-ketoazepan-3-yl]-1-(1-naphthylmethyl)triazole-4-carboxamide Formula: C20H21N5O2 MolecularWeight: 363.41304

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NC(=O)C2=CN(N=N2)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

C1CCNC(=O)[C@H](C1)NC(=O)C2=CN(N=N2)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C20H21N5O2/c26-19-17(10-3-4-11-21-19)22-20(27)18-13-25(24-23-18)12-15-8-5-7-14-6-1-2-9-16(14)15/h1-2,5-9,13,17H,3-4,10-12H2,(H,21,26)(H,22,27)/t17-/m0/s1