5-(4,4-dimethyl-2-oxidanylidene-1H-3,1-benzoxazin-6-yl)-1-pentyl-pyrrole-2-carbonitrile

Systemtic Name: 5-(4,4-dimethyl-2-oxidanylidene-1H-3,1-benzoxazin-6-yl)-1-pentyl-pyrrole-2-carbonitrile Openeye Name: 5-(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)-1-pentyl-pyrrole-2-carbonitrile CAS Name: 5-(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)-1-pentyl-2-pyrrolecarbonitrile IUPAC Name: 5-(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)-1-pentylpyrrole-2-carbonitrile Traditional Name: 1-amyl-5-(2-keto-4,4-dimethyl-1H-3,1-benzoxazin-6-yl)pyrrole-2-carbonitrile Formula: C20H23N3O2 MolecularWeight: 337.41552

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=CC=C1C2=CC3=C(C=C2)NC(=O)OC3(C)C)C#N

Isomeric SMILES

CCCCCN1C(=CC=C1C2=CC3=C(C=C2)NC(=O)OC3(C)C)C#N

InChI

InChI=1S/C20H23N3O2/c1-4-5-6-11-23-15(13-21)8-10-18(23)14-7-9-17-16(12-14)20(2,3)25-19(24)22-17/h7-10,12H,4-6,11H2,1-3H3,(H,22,24)