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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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