N-[(2S)-3-oxidanyl-1-oxidanylidene-1-[(5-phenyl-1H-pyrazol-3-yl)amino]propan-2-yl]-4-pyren-1-yl-butanamide

Systemtic Name: N-[(2S)-3-oxidanyl-1-oxidanylidene-1-[(5-phenyl-1H-pyrazol-3-yl)amino]propan-2-yl]-4-pyren-1-yl-butanamide Openeye Name: N-[(1S)-1-(hydroxymethyl)-2-oxo-2-[(5-phenyl-1H-pyrazol-3-yl)amino]ethyl]-4-pyren-1-yl-butanamide CAS Name: N-[(2S)-3-hydroxy-1-oxo-1-[(5-phenyl-1H-pyrazol-3-yl)amino]propan-2-yl]-4-(1-pyrenyl)butanamide IUPAC Name: N-[(2S)-3-hydroxy-1-oxo-1-[(5-phenyl-1H-pyrazol-3-yl)amino]propan-2-yl]-4-pyren-1-ylbutanamide Traditional Name: N-[(1S)-2-keto-1-methylol-2-[(5-phenyl-1H-pyrazol-3-yl)amino]ethyl]-4-pyren-1-yl-butyramide Formula: C32H28N4O3 MolecularWeight: 516.58972

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NN2)NC(=O)C(CO)NC(=O)CCCC3=C4C=CC5=CC=CC6=C5C4=C(C=C6)C=C3

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NN2)NC(=O)[C@H](CO)NC(=O)CCCC3=C4C=CC5=CC=CC6=C5C4=C(C=C6)C=C3

InChI

InChI=1S/C32H28N4O3/c37-19-27(32(39)34-28-18-26(35-36-28)21-6-2-1-3-7-21)33-29(38)11-5-8-20-12-13-24-15-14-22-9-4-10-23-16-17-25(20)31(24)30(22)23/h1-4,6-7,9-10,12-18,27,37H,5,8,11,19H2,(H,33,38)(H2,34,35,36,39)/t27-/m0/s1