pentyl 2-[(3-bromophenyl)carbonylamino]-1-(phenylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate

Systemtic Name: pentyl 2-[(3-bromophenyl)carbonylamino]-1-(phenylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: pentyl 1-benzyl-2-[(3-bromobenzoyl)amino]pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-[[(3-bromophenyl)-oxomethyl]amino]-1-(phenylmethyl)-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid pentyl ester IUPAC Name: pentyl 1-benzyl-2-[(3-bromobenzoyl)amino]pyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 1-benzyl-2-[(3-bromobenzoyl)amino]pyrrolo[3,2-b]quinoxaline-3-carboxylic acid amyl ester Formula: C30H27BrN4O3 MolecularWeight: 571.46438

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CC4=CC=CC=C4)NC(=O)C5=CC(=CC=C5)Br

Isomeric SMILES

CCCCCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CC4=CC=CC=C4)NC(=O)C5=CC(=CC=C5)Br

InChI

InChI=1S/C30H27BrN4O3/c1-2-3-9-17-38-30(37)25-26-28(33-24-16-8-7-15-23(24)32-26)35(19-20-11-5-4-6-12-20)27(25)34-29(36)21-13-10-14-22(31)18-21/h4-8,10-16,18H,2-3,9,17,19H2,1H3,(H,34,36)