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

Systemtic Name: heptyl 2-azanyl-1-[4-(diethylamino)phenyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: heptyl 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 heptyl ester IUPAC Name: heptyl 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 heptyl ester Formula: C28H35N5O2 MolecularWeight: 473.6098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H35N5O2/c1-4-7-8-9-12-19-35-28(34)24-25-27(31-23-14-11-10-13-22(23)30-25)33(26(24)29)21-17-15-20(16-18-21)32(5-2)6-3/h10-11,13-18H,4-9,12,19,29H2,1-3H3