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

Systemtic Name: N-[(2S)-1-(dipropylamino)-3-oxidanyl-1-oxidanylidene-propan-2-yl]-4-pyren-1-yl-butanamide Openeye Name: N-[(1S)-2-(dipropylamino)-1-(hydroxymethyl)-2-oxo-ethyl]-4-pyren-1-yl-butanamide CAS Name: N-[(2S)-1-(dipropylamino)-3-hydroxy-1-oxopropan-2-yl]-4-(1-pyrenyl)butanamide IUPAC Name: N-[(2S)-1-(dipropylamino)-3-hydroxy-1-oxopropan-2-yl]-4-pyren-1-ylbutanamide Traditional Name: N-[(1S)-2-(dipropylamino)-2-keto-1-methylol-ethyl]-4-pyren-1-yl-butyramide Formula: C29H34N2O3 MolecularWeight: 458.59186

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C(=O)C(CO)NC(=O)CCCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1

Isomeric SMILES

CCCN(CCC)C(=O)[C@H](CO)NC(=O)CCCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1

InChI

InChI=1S/C29H34N2O3/c1-3-17-31(18-4-2)29(34)25(19-32)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,3-4,6-7,10,17-19H2,1-2H3,(H,30,33)/t25-/m0/s1