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

Systemtic Name: N-[(2S)-1-[4-(4-ethanoylphenyl)piperazin-1-yl]-3-oxidanyl-1-oxidanylidene-propan-2-yl]-4-pyren-1-yl-butanamide Openeye Name: N-[(1S)-2-[4-(4-acetylphenyl)piperazin-1-yl]-1-(hydroxymethyl)-2-oxo-ethyl]-4-pyren-1-yl-butanamide CAS Name: N-[(2S)-1-[4-(4-acetylphenyl)-1-piperazinyl]-3-hydroxy-1-oxopropan-2-yl]-4-(1-pyrenyl)butanamide IUPAC Name: N-[(2S)-1-[4-(4-acetylphenyl)piperazin-1-yl]-3-hydroxy-1-oxopropan-2-yl]-4-pyren-1-ylbutanamide Traditional Name: N-[(1S)-2-[4-(4-acetylphenyl)piperazino]-2-keto-1-methylol-ethyl]-4-pyren-1-yl-butyramide Formula: C35H35N3O4 MolecularWeight: 561.6701

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)C(CO)NC(=O)CCCC3=C4C=CC5=CC=CC6=C5C4=C(C=C6)C=C3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)[C@H](CO)NC(=O)CCCC3=C4C=CC5=CC=CC6=C5C4=C(C=C6)C=C3

InChI

InChI=1S/C35H35N3O4/c1-23(40)24-12-15-29(16-13-24)37-18-20-38(21-19-37)35(42)31(22-39)36-32(41)7-3-4-25-8-9-28-11-10-26-5-2-6-27-14-17-30(25)34(28)33(26)27/h2,5-6,8-17,31,39H,3-4,7,18-22H2,1H3,(H,36,41)/t31-/m0/s1