N-[(2S)-3-oxidanyl-1-oxidanylidene-1-(1,2,4-triazol-4-ylamino)propan-2-yl]-4-pyren-1-yl-butanamide

Systemtic Name: N-[(2S)-3-oxidanyl-1-oxidanylidene-1-(1,2,4-triazol-4-ylamino)propan-2-yl]-4-pyren-1-yl-butanamide Openeye Name: N-[(1S)-1-(hydroxymethyl)-2-oxo-2-(1,2,4-triazol-4-ylamino)ethyl]-4-pyren-1-yl-butanamide CAS Name: N-[(2S)-3-hydroxy-1-oxo-1-(1,2,4-triazol-4-ylamino)propan-2-yl]-4-(1-pyrenyl)butanamide IUPAC Name: N-[(2S)-3-hydroxy-1-oxo-1-(1,2,4-triazol-4-ylamino)propan-2-yl]-4-pyren-1-ylbutanamide Traditional Name: N-[(1S)-2-keto-1-methylol-2-(1,2,4-triazol-4-ylamino)ethyl]-4-pyren-1-yl-butyramide Formula: C25H23N5O3 MolecularWeight: 441.48182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CCCC(=O)NC(CO)C(=O)NN5C=NN=C5

Isomeric SMILES

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CCCC(=O)N[C@@H](CO)C(=O)NN5C=NN=C5

InChI

InChI=1S/C25H23N5O3/c31-13-21(25(33)29-30-14-26-27-15-30)28-22(32)6-2-3-16-7-8-19-10-9-17-4-1-5-18-11-12-20(16)24(19)23(17)18/h1,4-5,7-12,14-15,21,31H,2-3,6,13H2,(H,28,32)(H,29,33)/t21-/m0/s1