2-[(E)-3-phenylprop-2-enoxy]-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one

Systemtic Name: 2-[(E)-3-phenylprop-2-enoxy]-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one Openeye Name: 2-[(E)-cinnamyl]oxy-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one CAS Name: 2-[(E)-3-phenylprop-2-enoxy]-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one IUPAC Name: 2-[(E)-3-phenylprop-2-enoxy]-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one Traditional Name: 2-[(E)-cinnamyl]oxy-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one Formula: C22H22N2O2 MolecularWeight: 346.42228

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NC3=C(C=C(C=C3)OCC=CC4=CC=CC=C4)C(=O)N2CC1

Isomeric SMILES

C1CCC2=NC3=C(C=C(C=C3)OC/C=C/C4=CC=CC=C4)C(=O)N2CC1

InChI

InChI=1S/C22H22N2O2/c25-22-19-16-18(26-15-7-10-17-8-3-1-4-9-17)12-13-20(19)23-21-11-5-2-6-14-24(21)22/h1,3-4,7-10,12-13,16H,2,5-6,11,14-15H2/b10-7+