(2R)-4-[(E)-3-[4-(azepan-1-yl)phenyl]prop-2-enoyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: (2R)-4-[(E)-3-[4-(azepan-1-yl)phenyl]prop-2-enoyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: (2R)-4-[(E)-3-[4-(azepan-1-yl)phenyl]prop-2-enoyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: (2R)-4-[(E)-3-[4-(1-azepanyl)phenyl]-1-oxoprop-2-enyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: (2R)-4-[(E)-3-[4-(azepan-1-yl)phenyl]prop-2-enoyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: (2R)-4-[(E)-3-[4-(azepan-1-yl)phenyl]acryloyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C25H29N3O3 MolecularWeight: 419.51606

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1CN(C2=CC=CC=C2O1)C(=O)C=CC3=CC=C(C=C3)N4CCCCCC4

Isomeric SMILES

CNC(=O)[C@H]1CN(C2=CC=CC=C2O1)C(=O)/C=C/C3=CC=C(C=C3)N4CCCCCC4

InChI

InChI=1S/C25H29N3O3/c1-26-25(30)23-18-28(21-8-4-5-9-22(21)31-23)24(29)15-12-19-10-13-20(14-11-19)27-16-6-2-3-7-17-27/h4-5,8-15,23H,2-3,6-7,16-18H2,1H3,(H,26,30)/b15-12+/t23-/m1/s1