6-[(2S)-2-chloranylpropanoyl]-2,2-dimethyl-4-(2-pyrrolidin-1-ylethyl)-1,4-benzoxazin-3-one

Systemtic Name: 6-[(2S)-2-chloranylpropanoyl]-2,2-dimethyl-4-(2-pyrrolidin-1-ylethyl)-1,4-benzoxazin-3-one Openeye Name: 6-[(2S)-2-chloropropanoyl]-2,2-dimethyl-4-(2-pyrrolidin-1-ylethyl)-1,4-benzoxazin-3-one CAS Name: 6-[(2S)-2-chloro-1-oxopropyl]-2,2-dimethyl-4-[2-(1-pyrrolidinyl)ethyl]-1,4-benzoxazin-3-one IUPAC Name: 6-[(2S)-2-chloropropanoyl]-2,2-dimethyl-4-(2-pyrrolidin-1-ylethyl)-1,4-benzoxazin-3-one Traditional Name: 6-[(2S)-2-chloropropanoyl]-2,2-dimethyl-4-(2-pyrrolidinoethyl)-1,4-benzoxazin-3-one Formula: C19H25ClN2O3 MolecularWeight: 364.8664

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC2=C(C=C1)OC(C(=O)N2CCN3CCCC3)(C)C)Cl

Isomeric SMILES

C[C@@H](C(=O)C1=CC2=C(C=C1)OC(C(=O)N2CCN3CCCC3)(C)C)Cl

InChI

InChI=1S/C19H25ClN2O3/c1-13(20)17(23)14-6-7-16-15(12-14)22(18(24)19(2,3)25-16)11-10-21-8-4-5-9-21/h6-7,12-13H,4-5,8-11H2,1-3H3/t13-/m0/s1