(2S)-2-(7-azanyl-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(3-chloranyl-4-methyl-phenyl)propanamide

Systemtic Name: (2S)-2-(7-azanyl-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(3-chloranyl-4-methyl-phenyl)propanamide Openeye Name: (2S)-2-(7-amino-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(3-chloro-4-methyl-phenyl)propanamide CAS Name: (2S)-2-(7-amino-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(3-chloro-4-methylphenyl)propanamide IUPAC Name: (2S)-2-(7-amino-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(3-chloro-4-methylphenyl)propanamide Traditional Name: (2S)-2-(7-amino-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(3-chloro-4-methyl-phenyl)propionamide Formula: C18H20ClN3O2 MolecularWeight: 345.8233

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)N2CCOC3=C2C=CC(=C3)N)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)[C@H](C)N2CCOC3=C2C=CC(=C3)N)Cl

InChI

InChI=1S/C18H20ClN3O2/c1-11-3-5-14(10-15(11)19)21-18(23)12(2)22-7-8-24-17-9-13(20)4-6-16(17)22/h3-6,9-10,12H,7-8,20H2,1-2H3,(H,21,23)/t12-/m0/s1