N-[(2S)-1-(1H-indazol-6-ylamino)-3-oxidanyl-1-oxidanylidene-propan-2-yl]-4-pyren-1-yl-butanamide

Systemtic Name: N-[(2S)-1-(1H-indazol-6-ylamino)-3-oxidanyl-1-oxidanylidene-propan-2-yl]-4-pyren-1-yl-butanamide Openeye Name: N-[(1S)-1-(hydroxymethyl)-2-(1H-indazol-6-ylamino)-2-oxo-ethyl]-4-pyren-1-yl-butanamide CAS Name: N-[(2S)-3-hydroxy-1-(1H-indazol-6-ylamino)-1-oxopropan-2-yl]-4-(1-pyrenyl)butanamide IUPAC Name: N-[(2S)-3-hydroxy-1-(1H-indazol-6-ylamino)-1-oxopropan-2-yl]-4-pyren-1-ylbutanamide Traditional Name: N-[(1S)-2-(1H-indazol-6-ylamino)-2-keto-1-methylol-ethyl]-4-pyren-1-yl-butyramide Formula: C30H26N4O3 MolecularWeight: 490.55244

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CCCC(=O)NC(CO)C(=O)NC5=CC6=C(C=C5)C=NN6

Isomeric SMILES

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CCCC(=O)N[C@@H](CO)C(=O)NC5=CC6=C(C=C5)C=NN6

InChI

InChI=1S/C30H26N4O3/c35-17-26(30(37)32-23-13-11-22-16-31-34-25(22)15-23)33-27(36)6-2-3-18-7-8-21-10-9-19-4-1-5-20-12-14-24(18)29(21)28(19)20/h1,4-5,7-16,26,35H,2-3,6,17H2,(H,31,34)(H,32,37)(H,33,36)/t26-/m0/s1