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

Systemtic Name: N-[(2S)-1-[4-(4-nitrophenyl)piperazin-1-yl]-3-oxidanyl-1-oxidanylidene-propan-2-yl]-4-pyren-1-yl-butanamide Openeye Name: N-[(1S)-1-(hydroxymethyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxo-ethyl]-4-pyren-1-yl-butanamide CAS Name: N-[(2S)-3-hydroxy-1-[4-(4-nitrophenyl)-1-piperazinyl]-1-oxopropan-2-yl]-4-(1-pyrenyl)butanamide IUPAC Name: N-[(2S)-3-hydroxy-1-[4-(4-nitrophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-4-pyren-1-ylbutanamide Traditional Name: N-[(1S)-2-keto-1-methylol-2-[4-(4-nitrophenyl)piperazino]ethyl]-4-pyren-1-yl-butyramide Formula: C33H32N4O5 MolecularWeight: 564.63098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H32N4O5/c38-21-29(33(40)36-19-17-35(18-20-36)26-12-14-27(15-13-26)37(41)42)34-30(39)6-2-3-22-7-8-25-10-9-23-4-1-5-24-11-16-28(22)32(25)31(23)24/h1,4-5,7-16,29,38H,2-3,6,17-21H2,(H,34,39)/t29-/m0/s1