6-[(E)-3-(4-pyrrolidin-1-ylphenyl)prop-2-enoyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[(E)-3-(4-pyrrolidin-1-ylphenyl)prop-2-enoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[(E)-3-(4-pyrrolidin-1-ylphenyl)prop-2-enoyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[(E)-1-oxo-3-[4-(1-pyrrolidinyl)phenyl]prop-2-enyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[(E)-3-(4-pyrrolidin-1-ylphenyl)prop-2-enoyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[(E)-3-(4-pyrrolidinophenyl)acryloyl]-4H-1,4-benzoxazin-3-one Formula: C21H20N2O3 MolecularWeight: 348.3951

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=C(C=C2)C=CC(=O)C3=CC4=C(C=C3)OCC(=O)N4

Isomeric SMILES

C1CCN(C1)C2=CC=C(C=C2)/C=C/C(=O)C3=CC4=C(C=C3)OCC(=O)N4

InChI

InChI=1S/C21H20N2O3/c24-19(16-6-10-20-18(13-16)22-21(25)14-26-20)9-5-15-3-7-17(8-4-15)23-11-1-2-12-23/h3-10,13H,1-2,11-12,14H2,(H,22,25)/b9-5+