(2S)-4-(3-azanylpropyl)-2-phenyl-1,4-benzoxazin-3-one

Systemtic Name: (2S)-4-(3-azanylpropyl)-2-phenyl-1,4-benzoxazin-3-one Openeye Name: (2S)-4-(3-aminopropyl)-2-phenyl-1,4-benzoxazin-3-one CAS Name: (2S)-4-(3-aminopropyl)-2-phenyl-1,4-benzoxazin-3-one IUPAC Name: (2S)-4-(3-aminopropyl)-2-phenyl-1,4-benzoxazin-3-one Traditional Name: (2S)-4-(3-aminopropyl)-2-phenyl-1,4-benzoxazin-3-one Formula: C17H18N2O2 MolecularWeight: 282.33702

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C(=O)N(C3=CC=CC=C3O2)CCCN

Isomeric SMILES

C1=CC=C(C=C1)[C@H]2C(=O)N(C3=CC=CC=C3O2)CCCN

InChI

InChI=1S/C17H18N2O2/c18-11-6-12-19-14-9-4-5-10-15(14)21-16(17(19)20)13-7-2-1-3-8-13/h1-5,7-10,16H,6,11-12,18H2/t16-/m0/s1