2-[6-(1H-pyrrol-2-yl)hexylamino]-3,1-benzoxazin-4-one

Systemtic Name: 2-[6-(1H-pyrrol-2-yl)hexylamino]-3,1-benzoxazin-4-one Openeye Name: 2-[6-(1H-pyrrol-2-yl)hexylamino]-3,1-benzoxazin-4-one CAS Name: 2-[6-(1H-pyrrol-2-yl)hexylamino]-3,1-benzoxazin-4-one IUPAC Name: 2-[6-(1H-pyrrol-2-yl)hexylamino]-3,1-benzoxazin-4-one Traditional Name: 2-[6-(1H-pyrrol-2-yl)hexylamino]-3,1-benzoxazin-4-one Formula: C18H21N3O2 MolecularWeight: 311.37824

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)OC(=N2)NCCCCCCC3=CC=CN3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)OC(=N2)NCCCCCCC3=CC=CN3

InChI

InChI=1S/C18H21N3O2/c22-17-15-10-4-5-11-16(15)21-18(23-17)20-12-6-2-1-3-8-14-9-7-13-19-14/h4-5,7,9-11,13,19H,1-3,6,8,12H2,(H,20,21)