butyl 4-[2-azanyl-3-(butan-2-ylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoate

Systemtic Name: butyl 4-[2-azanyl-3-(butan-2-ylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoate Openeye Name: butyl 4-[2-amino-3-(sec-butylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoate CAS Name: 4-[2-amino-3-[(butan-2-ylamino)-oxomethyl]-1-pyrrolo[3,2-b]quinoxalinyl]benzoic acid butyl ester IUPAC Name: butyl 4-[2-amino-3-(butan-2-ylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoate Traditional Name: 4-[2-amino-3-(sec-butylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]benzoic acid butyl ester Formula: C26H29N5O3 MolecularWeight: 459.54016

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NC(C)CC)N

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NC(C)CC)N

InChI

InChI=1S/C26H29N5O3/c1-4-6-15-34-26(33)17-11-13-18(14-12-17)31-23(27)21(25(32)28-16(3)5-2)22-24(31)30-20-10-8-7-9-19(20)29-22/h7-14,16H,4-6,15,27H2,1-3H3,(H,28,32)