6-[(E)-3-[4-(azepan-1-yl)phenyl]prop-2-enoyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[(E)-3-[4-(azepan-1-yl)phenyl]prop-2-enoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[(E)-3-[4-(azepan-1-yl)phenyl]prop-2-enoyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[(E)-3-[4-(1-azepanyl)phenyl]-1-oxoprop-2-enyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[(E)-3-[4-(azepan-1-yl)phenyl]prop-2-enoyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[(E)-3-[4-(azepan-1-yl)phenyl]acryloyl]-4H-1,4-benzoxazin-3-one Formula: C23H24N2O3 MolecularWeight: 376.44826

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)C=CC(=O)C3=CC4=C(C=C3)OCC(=O)N4

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)/C=C/C(=O)C3=CC4=C(C=C3)OCC(=O)N4

InChI

InChI=1S/C23H24N2O3/c26-21(18-8-12-22-20(15-18)24-23(27)16-28-22)11-7-17-5-9-19(10-6-17)25-13-3-1-2-4-14-25/h5-12,15H,1-4,13-14,16H2,(H,24,27)/b11-7+