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

Systemtic Name: [2-[[4-(azepan-1-yl)phenyl]amino]-2-oxidanylidene-ethyl] 2-(benzotriazol-1-yl)ethanoate Openeye Name: [2-[4-(azepan-1-yl)anilino]-2-oxo-ethyl] 2-(benzotriazol-1-yl)acetate CAS Name: 2-(1-benzotriazolyl)acetic acid [2-[4-(1-azepanyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(azepan-1-yl)anilino]-2-oxoethyl] 2-(benzotriazol-1-yl)acetate Traditional Name: 2-(benzotriazol-1-yl)acetic acid [2-[4-(azepan-1-yl)anilino]-2-keto-ethyl] ester Formula: C22H25N5O3 MolecularWeight: 407.4656

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)COC(=O)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)COC(=O)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C22H25N5O3/c28-21(16-30-22(29)15-27-20-8-4-3-7-19(20)24-25-27)23-17-9-11-18(12-10-17)26-13-5-1-2-6-14-26/h3-4,7-12H,1-2,5-6,13-16H2,(H,23,28)