6-[(1S)-1-azanylbutyl]-4-(2-dimethylaminoethyl)-2,2-dimethyl-1,4-benzoxazin-3-one

Systemtic Name: 6-[(1S)-1-azanylbutyl]-4-(2-dimethylaminoethyl)-2,2-dimethyl-1,4-benzoxazin-3-one Openeye Name: 6-[(1S)-1-aminobutyl]-4-(2-dimethylaminoethyl)-2,2-dimethyl-1,4-benzoxazin-3-one CAS Name: 6-[(1S)-1-aminobutyl]-4-(2-dimethylaminoethyl)-2,2-dimethyl-1,4-benzoxazin-3-one IUPAC Name: 6-[(1S)-1-aminobutyl]-4-(2-dimethylaminoethyl)-2,2-dimethyl-1,4-benzoxazin-3-one Traditional Name: 6-[(1S)-1-aminobutyl]-4-(2-dimethylaminoethyl)-2,2-dimethyl-1,4-benzoxazin-3-one Formula: C18H29N3O2 MolecularWeight: 319.44176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC2=C(C=C1)OC(C(=O)N2CCN(C)C)(C)C)N

Isomeric SMILES

CCC[C@@H](C1=CC2=C(C=C1)OC(C(=O)N2CCN(C)C)(C)C)N

InChI

InChI=1S/C18H29N3O2/c1-6-7-14(19)13-8-9-16-15(12-13)21(11-10-20(4)5)17(22)18(2,3)23-16/h8-9,12,14H,6-7,10-11,19H2,1-5H3/t14-/m0/s1