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

Systemtic Name: N-[(2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxidanyl-1-oxidanylidene-propan-2-yl]-4-pyren-1-yl-butanamide Openeye Name: N-[(1S)-1-(hydroxymethyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl]-4-pyren-1-yl-butanamide CAS Name: N-[(2S)-3-hydroxy-1-[4-(2-methoxyphenyl)-1-piperazinyl]-1-oxopropan-2-yl]-4-(1-pyrenyl)butanamide IUPAC Name: N-[(2S)-3-hydroxy-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-4-pyren-1-ylbutanamide Traditional Name: N-[(1S)-2-keto-2-[4-(2-methoxyphenyl)piperazino]-1-methylol-ethyl]-4-pyren-1-yl-butyramide Formula: C34H35N3O4 MolecularWeight: 549.6594

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C(=O)C(CO)NC(=O)CCCC3=C4C=CC5=CC=CC6=C5C4=C(C=C6)C=C3

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C(=O)[C@H](CO)NC(=O)CCCC3=C4C=CC5=CC=CC6=C5C4=C(C=C6)C=C3

InChI

InChI=1S/C34H35N3O4/c1-41-30-10-3-2-9-29(30)36-18-20-37(21-19-36)34(40)28(22-38)35-31(39)11-5-6-23-12-13-26-15-14-24-7-4-8-25-16-17-27(23)33(26)32(24)25/h2-4,7-10,12-17,28,38H,5-6,11,18-22H2,1H3,(H,35,39)/t28-/m0/s1