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

Systemtic Name: N-[(2S)-1-[(4-chlorophenyl)methylamino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]-4-pyren-1-yl-butanamide Openeye Name: N-[(1S)-2-[(4-chlorophenyl)methylamino]-1-(hydroxymethyl)-2-oxo-ethyl]-4-pyren-1-yl-butanamide CAS Name: N-[(2S)-1-[(4-chlorophenyl)methylamino]-3-hydroxy-1-oxopropan-2-yl]-4-(1-pyrenyl)butanamide IUPAC Name: N-[(2S)-1-[(4-chlorophenyl)methylamino]-3-hydroxy-1-oxopropan-2-yl]-4-pyren-1-ylbutanamide Traditional Name: N-[(1S)-2-[(4-chlorobenzyl)amino]-2-keto-1-methylol-ethyl]-4-pyren-1-yl-butyramide Formula: C30H27ClN2O3 MolecularWeight: 498.99998

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CCCC(=O)NC(CO)C(=O)NCC5=CC=C(C=C5)Cl

Isomeric SMILES

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CCCC(=O)N[C@@H](CO)C(=O)NCC5=CC=C(C=C5)Cl

InChI

InChI=1S/C30H27ClN2O3/c31-24-14-7-19(8-15-24)17-32-30(36)26(18-34)33-27(35)6-2-3-20-9-10-23-12-11-21-4-1-5-22-13-16-25(20)29(23)28(21)22/h1,4-5,7-16,26,34H,2-3,6,17-18H2,(H,32,36)(H,33,35)/t26-/m0/s1