ethyl 4-hexyl-2,7-diphenyl-5H-1,3-diazepine-6-carboxylate

Systemtic Name: ethyl 4-hexyl-2,7-diphenyl-5H-1,3-diazepine-6-carboxylate Openeye Name: ethyl 4-hexyl-2,7-diphenyl-5H-1,3-diazepine-6-carboxylate CAS Name: 4-hexyl-2,7-diphenyl-5H-1,3-diazepine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 4-hexyl-2,7-diphenyl-5H-1,3-diazepine-6-carboxylate Traditional Name: 4-hexyl-2,7-diphenyl-5H-1,3-diazepine-6-carboxylic acid ethyl ester Formula: C26H30N2O2 MolecularWeight: 402.5286

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=NC(=NC(=C(C1)C(=O)OCC)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCCCC1=NC(=NC(=C(C1)C(=O)OCC)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C26H30N2O2/c1-3-5-6-13-18-22-19-23(26(29)30-4-2)24(20-14-9-7-10-15-20)28-25(27-22)21-16-11-8-12-17-21/h7-12,14-17H,3-6,13,18-19H2,1-2H3