ethyl 9-oxidanylidene-2-[(phenylmethyl)amino]-5,6,7,8-tetrahydrocyclohepta[b]pyridine-3-carboxylate

Systemtic Name: ethyl 9-oxidanylidene-2-[(phenylmethyl)amino]-5,6,7,8-tetrahydrocyclohepta[b]pyridine-3-carboxylate Openeye Name: ethyl 2-(benzylamino)-9-oxo-5,6,7,8-tetrahydrocyclohepta[b]pyridine-3-carboxylate CAS Name: 9-oxo-2-[(phenylmethyl)amino]-5,6,7,8-tetrahydrocyclohepta[b]pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(benzylamino)-9-oxo-5,6,7,8-tetrahydrocyclohepta[b]pyridine-3-carboxylate Traditional Name: 2-(benzylamino)-9-keto-5,6,7,8-tetrahydrocyclohepta[b]pyridine-3-carboxylic acid ethyl ester Formula: C20H22N2O3 MolecularWeight: 338.40028

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C(=O)CCCC2)N=C1NCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC2=C(C(=O)CCCC2)N=C1NCC3=CC=CC=C3

InChI

InChI=1S/C20H22N2O3/c1-2-25-20(24)16-12-15-10-6-7-11-17(23)18(15)22-19(16)21-13-14-8-4-3-5-9-14/h3-5,8-9,12H,2,6-7,10-11,13H2,1H3,(H,21,22)