(phenylmethyl) (4E)-4-(3,4-dihydro-2H-quinolin-1-ylimino)azepane-1-carboxylate

Systemtic Name: (phenylmethyl) (4E)-4-(3,4-dihydro-2H-quinolin-1-ylimino)azepane-1-carboxylate Openeye Name: benzyl (4E)-4-(3,4-dihydro-2H-quinolin-1-ylimino)azepane-1-carboxylate CAS Name: (4E)-4-(3,4-dihydro-2H-quinolin-1-ylimino)-1-azepanecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (4E)-4-(3,4-dihydro-2H-quinolin-1-ylimino)azepane-1-carboxylate Traditional Name: (4E)-4-(3,4-dihydro-2H-quinolin-1-ylimino)azepane-1-carboxylic acid benzyl ester Formula: C23H27N3O2 MolecularWeight: 377.47938

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=NN2CCCC3=CC=CC=C32)CCN(C1)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1C/C(=N\N2CCCC3=CC=CC=C32)/CCN(C1)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C23H27N3O2/c27-23(28-18-19-8-2-1-3-9-19)25-15-7-12-21(14-17-25)24-26-16-6-11-20-10-4-5-13-22(20)26/h1-5,8-10,13H,6-7,11-12,14-18H2/b24-21+