[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-propyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-propyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 2-propyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylate CAS Name: 2-propyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 2-propyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylate Traditional Name: 2-propyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C24H31N3O3 MolecularWeight: 409.52124

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCC2=NC3=CC=CC=C3C(=C2C1)C(=O)OCC(=O)N4CCCCCC4

Isomeric SMILES

CCCN1CCC2=NC3=CC=CC=C3C(=C2C1)C(=O)OCC(=O)N4CCCCCC4

InChI

InChI=1S/C24H31N3O3/c1-2-12-26-15-11-21-19(16-26)23(18-9-5-6-10-20(18)25-21)24(29)30-17-22(28)27-13-7-3-4-8-14-27/h5-6,9-10H,2-4,7-8,11-17H2,1H3