(2E)-6-azanyl-2-(furan-2-ylmethylidene)-4-(3-phenylpropyl)-1,4-benzoxazin-3-one

Systemtic Name: (2E)-6-azanyl-2-(furan-2-ylmethylidene)-4-(3-phenylpropyl)-1,4-benzoxazin-3-one Openeye Name: (2E)-6-amino-2-(2-furylmethylene)-4-(3-phenylpropyl)-1,4-benzoxazin-3-one CAS Name: (2E)-6-amino-2-(2-furanylmethylidene)-4-(3-phenylpropyl)-1,4-benzoxazin-3-one IUPAC Name: (2E)-6-amino-2-(furan-2-ylmethylidene)-4-(3-phenylpropyl)-1,4-benzoxazin-3-one Traditional Name: (2E)-6-amino-2-(2-furfurylidene)-4-(3-phenylpropyl)-1,4-benzoxazin-3-one Formula: C22H20N2O3 MolecularWeight: 360.4058

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCN2C3=C(C=CC(=C3)N)OC(=CC4=CC=CO4)C2=O

Isomeric SMILES

C1=CC=C(C=C1)CCCN2C3=C(C=CC(=C3)N)O/C(=C/C4=CC=CO4)/C2=O

InChI

InChI=1S/C22H20N2O3/c23-17-10-11-20-19(14-17)24(12-4-8-16-6-2-1-3-7-16)22(25)21(27-20)15-18-9-5-13-26-18/h1-3,5-7,9-11,13-15H,4,8,12,23H2/b21-15+