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

Systemtic Name: N-[(2S)-1-(azepan-1-yl)-3-oxidanyl-1-oxidanylidene-propan-2-yl]-4-pyren-1-yl-butanamide Openeye Name: N-[(1S)-2-(azepan-1-yl)-1-(hydroxymethyl)-2-oxo-ethyl]-4-pyren-1-yl-butanamide CAS Name: N-[(2S)-1-(1-azepanyl)-3-hydroxy-1-oxopropan-2-yl]-4-(1-pyrenyl)butanamide IUPAC Name: N-[(2S)-1-(azepan-1-yl)-3-hydroxy-1-oxopropan-2-yl]-4-pyren-1-ylbutanamide Traditional Name: N-[(1S)-2-(azepan-1-yl)-2-keto-1-methylol-ethyl]-4-pyren-1-yl-butyramide Formula: C29H32N2O3 MolecularWeight: 456.57598

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C(CO)NC(=O)CCCC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2

Isomeric SMILES

C1CCCN(CC1)C(=O)[C@H](CO)NC(=O)CCCC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2

InChI

InChI=1S/C29H32N2O3/c32-19-25(29(34)31-17-3-1-2-4-18-31)30-26(33)10-6-7-20-11-12-23-14-13-21-8-5-9-22-15-16-24(20)28(23)27(21)22/h5,8-9,11-16,25,32H,1-4,6-7,10,17-19H2,(H,30,33)/t25-/m0/s1