6-[(1S)-1-azanylpropyl]-2,2-dimethyl-4-(3-methylbutyl)-1,4-benzoxazin-3-one

Systemtic Name: 6-[(1S)-1-azanylpropyl]-2,2-dimethyl-4-(3-methylbutyl)-1,4-benzoxazin-3-one Openeye Name: 6-[(1S)-1-aminopropyl]-4-isopentyl-2,2-dimethyl-1,4-benzoxazin-3-one CAS Name: 6-[(1S)-1-aminopropyl]-2,2-dimethyl-4-(3-methylbutyl)-1,4-benzoxazin-3-one IUPAC Name: 6-[(1S)-1-aminopropyl]-2,2-dimethyl-4-(3-methylbutyl)-1,4-benzoxazin-3-one Traditional Name: 6-[(1S)-1-aminopropyl]-4-isoamyl-2,2-dimethyl-1,4-benzoxazin-3-one Formula: C18H28N2O2 MolecularWeight: 304.42712

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC2=C(C=C1)OC(C(=O)N2CCC(C)C)(C)C)N

Isomeric SMILES

CC[C@@H](C1=CC2=C(C=C1)OC(C(=O)N2CCC(C)C)(C)C)N

InChI

InChI=1S/C18H28N2O2/c1-6-14(19)13-7-8-16-15(11-13)20(10-9-12(2)3)17(21)18(4,5)22-16/h7-8,11-12,14H,6,9-10,19H2,1-5H3/t14-/m0/s1