butyl 7-(4-chloranylbutanoylamino)phenazine-1-carboxylate

Systemtic Name: butyl 7-(4-chloranylbutanoylamino)phenazine-1-carboxylate Openeye Name: butyl 7-(4-chlorobutanoylamino)phenazine-1-carboxylate CAS Name: 7-[(4-chloro-1-oxobutyl)amino]-1-phenazinecarboxylic acid butyl ester IUPAC Name: butyl 7-(4-chlorobutanoylamino)phenazine-1-carboxylate Traditional Name: 7-(4-chlorobutanoylamino)phenazine-1-carboxylic acid butyl ester Formula: C21H22ClN3O3 MolecularWeight: 399.87068

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C2C(=CC=C1)N=C3C=C(C=CC3=N2)NC(=O)CCCCl

Isomeric SMILES

CCCCOC(=O)C1=C2C(=CC=C1)N=C3C=C(C=CC3=N2)NC(=O)CCCCl

InChI

InChI=1S/C21H22ClN3O3/c1-2-3-12-28-21(27)15-6-4-7-17-20(15)25-16-10-9-14(13-18(16)24-17)23-19(26)8-5-11-22/h4,6-7,9-10,13H,2-3,5,8,11-12H2,1H3,(H,23,26)