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

Systemtic Name: 3-methylbutyl 2-azanyl-1-[4-(diethylamino)phenyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: isopentyl 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 3-methylbutyl ester IUPAC Name: 3-methylbutyl 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 isoamyl ester Formula: C26H31N5O2 MolecularWeight: 445.55664

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)OCCC(C)C)N

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)OCCC(C)C)N

InChI

InChI=1S/C26H31N5O2/c1-5-30(6-2)18-11-13-19(14-12-18)31-24(27)22(26(32)33-16-15-17(3)4)23-25(31)29-21-10-8-7-9-20(21)28-23/h7-14,17H,5-6,15-16,27H2,1-4H3