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

Systemtic Name: heptyl 2-azanyl-1-(4-propan-2-ylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: heptyl 2-amino-1-(4-isopropylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-amino-1-(4-propan-2-ylphenyl)-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid heptyl ester IUPAC Name: heptyl 2-amino-1-(4-propan-2-ylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-amino-1-p-cumenyl-pyrrolo[3,2-b]quinoxaline-3-carboxylic acid heptyl ester Formula: C27H32N4O2 MolecularWeight: 444.56858

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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)C(C)C)N

Isomeric SMILES

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

InChI

InChI=1S/C27H32N4O2/c1-4-5-6-7-10-17-33-27(32)23-24-26(30-22-12-9-8-11-21(22)29-24)31(25(23)28)20-15-13-19(14-16-20)18(2)3/h8-9,11-16,18H,4-7,10,17,28H2,1-3H3