2-[3-[3-[(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)oxymethyl]pyrrolidin-1-yl]propoxy]benzenecarbonitrile

Systemtic Name: 2-[3-[3-[(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)oxymethyl]pyrrolidin-1-yl]propoxy]benzenecarbonitrile Openeye Name: 2-[3-[3-[(3-oxo-4H-1,4-benzoxazin-6-yl)oxymethyl]pyrrolidin-1-yl]propoxy]benzonitrile CAS Name: 2-[3-[3-[(3-oxo-4H-1,4-benzoxazin-6-yl)oxymethyl]-1-pyrrolidinyl]propoxy]benzonitrile IUPAC Name: 2-[3-[3-[(3-oxo-4H-1,4-benzoxazin-6-yl)oxymethyl]pyrrolidin-1-yl]propoxy]benzonitrile Traditional Name: 2-[3-[3-[(3-keto-4H-1,4-benzoxazin-6-yl)oxymethyl]pyrrolidino]propoxy]benzonitrile Formula: C23H25N3O4 MolecularWeight: 407.4623

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1COC2=CC3=C(C=C2)OCC(=O)N3)CCCOC4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CC1COC2=CC3=C(C=C2)OCC(=O)N3)CCCOC4=CC=CC=C4C#N

InChI

InChI=1S/C23H25N3O4/c24-13-18-4-1-2-5-21(18)28-11-3-9-26-10-8-17(14-26)15-29-19-6-7-22-20(12-19)25-23(27)16-30-22/h1-2,4-7,12,17H,3,8-11,14-16H2,(H,25,27)