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

Systemtic Name: cyclohexyl 2-azanyl-1-[4-(diethylamino)phenyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: cyclohexyl 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 cyclohexyl ester IUPAC Name: cyclohexyl 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 cyclohexyl ester Formula: C27H31N5O2 MolecularWeight: 457.56734

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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)OC5CCCCC5)N

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)OC5CCCCC5)N

InChI

InChI=1S/C27H31N5O2/c1-3-31(4-2)18-14-16-19(17-15-18)32-25(28)23(27(33)34-20-10-6-5-7-11-20)24-26(32)30-22-13-9-8-12-21(22)29-24/h8-9,12-17,20H,3-7,10-11,28H2,1-2H3