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

Systemtic Name: 6-[(1S)-1-azanylpropyl]-2,2-dimethyl-4-[(2-methylphenyl)methyl]-1,4-benzoxazin-3-one Openeye Name: 6-[(1S)-1-aminopropyl]-2,2-dimethyl-4-(o-tolylmethyl)-1,4-benzoxazin-3-one CAS Name: 6-[(1S)-1-aminopropyl]-2,2-dimethyl-4-[(2-methylphenyl)methyl]-1,4-benzoxazin-3-one IUPAC Name: 6-[(1S)-1-aminopropyl]-2,2-dimethyl-4-[(2-methylphenyl)methyl]-1,4-benzoxazin-3-one Traditional Name: 6-[(1S)-1-aminopropyl]-2,2-dimethyl-4-(2-methylbenzyl)-1,4-benzoxazin-3-one Formula: C21H26N2O2 MolecularWeight: 338.44334

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC2=C(C=C1)OC(C(=O)N2CC3=CC=CC=C3C)(C)C)N

Isomeric SMILES

CC[C@@H](C1=CC2=C(C=C1)OC(C(=O)N2CC3=CC=CC=C3C)(C)C)N

InChI

InChI=1S/C21H26N2O2/c1-5-17(22)15-10-11-19-18(12-15)23(20(24)21(3,4)25-19)13-16-9-7-6-8-14(16)2/h6-12,17H,5,13,22H2,1-4H3/t17-/m0/s1