6-[(1S)-1-azanylpropyl]-4-[(4-tert-butylphenyl)methyl]-1,4-benzoxazin-3-one

Systemtic Name: 6-[(1S)-1-azanylpropyl]-4-[(4-tert-butylphenyl)methyl]-1,4-benzoxazin-3-one Openeye Name: 6-[(1S)-1-aminopropyl]-4-[(4-tert-butylphenyl)methyl]-1,4-benzoxazin-3-one CAS Name: 6-[(1S)-1-aminopropyl]-4-[(4-tert-butylphenyl)methyl]-1,4-benzoxazin-3-one IUPAC Name: 6-[(1S)-1-aminopropyl]-4-[(4-tert-butylphenyl)methyl]-1,4-benzoxazin-3-one Traditional Name: 6-[(1S)-1-aminopropyl]-4-(4-tert-butylbenzyl)-1,4-benzoxazin-3-one Formula: C22H28N2O2 MolecularWeight: 352.46992

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC2=C(C=C1)OCC(=O)N2CC3=CC=C(C=C3)C(C)(C)C)N

Isomeric SMILES

CC[C@@H](C1=CC2=C(C=C1)OCC(=O)N2CC3=CC=C(C=C3)C(C)(C)C)N

InChI

InChI=1S/C22H28N2O2/c1-5-18(23)16-8-11-20-19(12-16)24(21(25)14-26-20)13-15-6-9-17(10-7-15)22(2,3)4/h6-12,18H,5,13-14,23H2,1-4H3/t18-/m0/s1