(2S)-2-(7-azanyl-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(5-chloranyl-2-methoxy-phenyl)propanamide

Systemtic Name: (2S)-2-(7-azanyl-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(5-chloranyl-2-methoxy-phenyl)propanamide Openeye Name: (2S)-2-(7-amino-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(5-chloro-2-methoxy-phenyl)propanamide CAS Name: (2S)-2-(7-amino-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(5-chloro-2-methoxyphenyl)propanamide IUPAC Name: (2S)-2-(7-amino-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(5-chloro-2-methoxyphenyl)propanamide Traditional Name: (2S)-2-(7-amino-2,3-dihydro-1,4-benzoxazin-4-yl)-N-(5-chloro-2-methoxy-phenyl)propionamide Formula: C18H20ClN3O3 MolecularWeight: 361.8227

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)Cl)OC)N2CCOC3=C2C=CC(=C3)N

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=CC(=C1)Cl)OC)N2CCOC3=C2C=CC(=C3)N

InChI

InChI=1S/C18H20ClN3O3/c1-11(18(23)21-14-9-12(19)3-6-16(14)24-2)22-7-8-25-17-10-13(20)4-5-15(17)22/h3-6,9-11H,7-8,20H2,1-2H3,(H,21,23)/t11-/m0/s1