2-azanyl-6-ethoxy-7-methyl-5-oxidanylidene-4-(3-phenylmethoxyphenyl)-4H-oxepine-3-carbonitrile

Systemtic Name: 2-azanyl-6-ethoxy-7-methyl-5-oxidanylidene-4-(3-phenylmethoxyphenyl)-4H-oxepine-3-carbonitrile Openeye Name: 2-amino-4-(3-benzyloxyphenyl)-6-ethoxy-7-methyl-5-oxo-4H-oxepine-3-carbonitrile CAS Name: 2-amino-6-ethoxy-7-methyl-5-oxo-4-(3-phenylmethoxyphenyl)-4H-oxepin-3-carbonitrile IUPAC Name: 2-amino-6-ethoxy-7-methyl-5-oxo-4-(3-phenylmethoxyphenyl)-4H-oxepine-3-carbonitrile Traditional Name: 2-amino-4-(3-benzoxyphenyl)-6-ethoxy-5-keto-7-methyl-4H-oxepin-3-carbonitrile Formula: C23H22N2O4 MolecularWeight: 390.43178

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(OC(=C(C(C1=O)C2=CC(=CC=C2)OCC3=CC=CC=C3)C#N)N)C

Isomeric SMILES

CCOC1=C(OC(=C(C(C1=O)C2=CC(=CC=C2)OCC3=CC=CC=C3)C#N)N)C

InChI

InChI=1S/C23H22N2O4/c1-3-27-22-15(2)29-23(25)19(13-24)20(21(22)26)17-10-7-11-18(12-17)28-14-16-8-5-4-6-9-16/h4-12,20H,3,14,25H2,1-2H3