hexyl 2-azanyl-1-[4-(diethylamino)phenyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate

Systemtic Name: hexyl 2-azanyl-1-[4-(diethylamino)phenyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: hexyl 2-amino-1-[4-(diethylamino)phenyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-amino-1-[4-(diethylamino)phenyl]-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid hexyl ester IUPAC Name: hexyl 2-amino-1-[4-(diethylamino)phenyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-amino-1-[4-(diethylamino)phenyl]pyrrolo[3,2-b]quinoxaline-3-carboxylic acid hexyl ester Formula: C27H33N5O2 MolecularWeight: 459.58322

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4=CC=C(C=C4)N(CC)CC)N

Isomeric SMILES

CCCCCCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4=CC=C(C=C4)N(CC)CC)N

InChI

InChI=1S/C27H33N5O2/c1-4-7-8-11-18-34-27(33)23-24-26(30-22-13-10-9-12-21(22)29-24)32(25(23)28)20-16-14-19(15-17-20)31(5-2)6-3/h9-10,12-17H,4-8,11,18,28H2,1-3H3