1-(2,4-dimethoxyphenyl)carbonyl-4-(2-oxidanylidene-4H-3,1-benzoxazin-1-yl)piperidine-2-carbonitrile

Systemtic Name: 1-(2,4-dimethoxyphenyl)carbonyl-4-(2-oxidanylidene-4H-3,1-benzoxazin-1-yl)piperidine-2-carbonitrile Openeye Name: 1-(2,4-dimethoxybenzoyl)-4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidine-2-carbonitrile CAS Name: 1-[(2,4-dimethoxyphenyl)-oxomethyl]-4-(2-oxo-4H-3,1-benzoxazin-1-yl)-2-piperidinecarbonitrile IUPAC Name: 1-(2,4-dimethoxybenzoyl)-4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidine-2-carbonitrile Traditional Name: 1-(2,4-dimethoxybenzoyl)-4-(2-keto-4H-3,1-benzoxazin-1-yl)pipecolinonitrile Formula: C23H23N3O5 MolecularWeight: 421.44582

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)N2CCC(CC2C#N)N3C4=CC=CC=C4COC3=O)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)N2CCC(CC2C#N)N3C4=CC=CC=C4COC3=O)OC

InChI

InChI=1S/C23H23N3O5/c1-29-18-7-8-19(21(12-18)30-2)22(27)25-10-9-16(11-17(25)13-24)26-20-6-4-3-5-15(20)14-31-23(26)28/h3-8,12,16-17H,9-11,14H2,1-2H3