2-[(2S)-7-azanyl-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]-N-(4-butylphenyl)ethanamide

Systemtic Name: 2-[(2S)-7-azanyl-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]-N-(4-butylphenyl)ethanamide Openeye Name: 2-[(2S)-7-amino-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]-N-(4-butylphenyl)acetamide CAS Name: 2-[(2S)-7-amino-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]-N-(4-butylphenyl)acetamide IUPAC Name: 2-[(2S)-7-amino-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]-N-(4-butylphenyl)acetamide Traditional Name: 2-[(2S)-7-amino-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]-N-(4-butylphenyl)acetamide Formula: C21H27N3O2 MolecularWeight: 353.45798

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)CN2CC(OC3=C2C=CC(=C3)N)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)CN2C[C@@H](OC3=C2C=CC(=C3)N)C

InChI

InChI=1S/C21H27N3O2/c1-3-4-5-16-6-9-18(10-7-16)23-21(25)14-24-13-15(2)26-20-12-17(22)8-11-19(20)24/h6-12,15H,3-5,13-14,22H2,1-2H3,(H,23,25)/t15-/m0/s1