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

Systemtic Name: N-[(2S)-3-oxidanyl-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl]-4-pyren-1-yl-butanamide Openeye Name: N-[(1S)-1-(hydroxymethyl)-2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-4-pyren-1-yl-butanamide CAS Name: N-[(2S)-3-hydroxy-1-oxo-1-(4-phenyl-1-piperazinyl)propan-2-yl]-4-(1-pyrenyl)butanamide IUPAC Name: N-[(2S)-3-hydroxy-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]-4-pyren-1-ylbutanamide Traditional Name: N-[(1S)-2-keto-1-methylol-2-(4-phenylpiperazino)ethyl]-4-pyren-1-yl-butyramide Formula: C33H33N3O3 MolecularWeight: 519.63342

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)C(CO)NC(=O)CCCC3=C4C=CC5=CC=CC6=C5C4=C(C=C6)C=C3

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)[C@H](CO)NC(=O)CCCC3=C4C=CC5=CC=CC6=C5C4=C(C=C6)C=C3

InChI

InChI=1S/C33H33N3O3/c37-22-29(33(39)36-20-18-35(19-21-36)27-9-2-1-3-10-27)34-30(38)11-5-6-23-12-13-26-15-14-24-7-4-8-25-16-17-28(23)32(26)31(24)25/h1-4,7-10,12-17,29,37H,5-6,11,18-22H2,(H,34,38)/t29-/m0/s1