(2S)-6-[(1S)-1-azanylethyl]-2-methyl-4-[(4-propan-2-ylphenyl)methyl]-1,4-benzoxazin-3-one

Systemtic Name: (2S)-6-[(1S)-1-azanylethyl]-2-methyl-4-[(4-propan-2-ylphenyl)methyl]-1,4-benzoxazin-3-one Openeye Name: (2S)-6-[(1S)-1-aminoethyl]-4-[(4-isopropylphenyl)methyl]-2-methyl-1,4-benzoxazin-3-one CAS Name: (2S)-6-[(1S)-1-aminoethyl]-2-methyl-4-[(4-propan-2-ylphenyl)methyl]-1,4-benzoxazin-3-one IUPAC Name: (2S)-6-[(1S)-1-aminoethyl]-2-methyl-4-[(4-propan-2-ylphenyl)methyl]-1,4-benzoxazin-3-one Traditional Name: (2S)-6-[(1S)-1-aminoethyl]-4-(4-isopropylbenzyl)-2-methyl-1,4-benzoxazin-3-one Formula: C21H26N2O2 MolecularWeight: 338.44334

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=C(O1)C=CC(=C2)C(C)N)CC3=CC=C(C=C3)C(C)C

Isomeric SMILES

C[C@H]1C(=O)N(C2=C(O1)C=CC(=C2)[C@H](C)N)CC3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C21H26N2O2/c1-13(2)17-7-5-16(6-8-17)12-23-19-11-18(14(3)22)9-10-20(19)25-15(4)21(23)24/h5-11,13-15H,12,22H2,1-4H3/t14-,15-/m0/s1