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

Systemtic Name: 6-[(1S)-1-azanylpropyl]-4-[(4-propan-2-ylphenyl)methyl]-1,4-benzoxazin-3-one Openeye Name: 6-[(1S)-1-aminopropyl]-4-[(4-isopropylphenyl)methyl]-1,4-benzoxazin-3-one CAS Name: 6-[(1S)-1-aminopropyl]-4-[(4-propan-2-ylphenyl)methyl]-1,4-benzoxazin-3-one IUPAC Name: 6-[(1S)-1-aminopropyl]-4-[(4-propan-2-ylphenyl)methyl]-1,4-benzoxazin-3-one Traditional Name: 6-[(1S)-1-aminopropyl]-4-(4-isopropylbenzyl)-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)OCC(=O)N2CC3=CC=C(C=C3)C(C)C)N

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O2/c1-4-18(22)17-9-10-20-19(11-17)23(21(24)13-25-20)12-15-5-7-16(8-6-15)14(2)3/h5-11,14,18H,4,12-13,22H2,1-3H3/t18-/m0/s1