[2-[[4-(azepan-1-yl)phenyl]amino]-2-oxidanylidene-ethyl] 4-cyanobenzoate

Systemtic Name: [2-[[4-(azepan-1-yl)phenyl]amino]-2-oxidanylidene-ethyl] 4-cyanobenzoate Openeye Name: [2-[4-(azepan-1-yl)anilino]-2-oxo-ethyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [2-[4-(1-azepanyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(azepan-1-yl)anilino]-2-oxoethyl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [2-[4-(azepan-1-yl)anilino]-2-keto-ethyl] ester Formula: C22H23N3O3 MolecularWeight: 377.43632

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)COC(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)COC(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H23N3O3/c23-15-17-5-7-18(8-6-17)22(27)28-16-21(26)24-19-9-11-20(12-10-19)25-13-3-1-2-4-14-25/h5-12H,1-4,13-14,16H2,(H,24,26)