N-butyl-2-[(2-chlorophenyl)carbonylamino]-1-(phenylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide

Systemtic Name: N-butyl-2-[(2-chlorophenyl)carbonylamino]-1-(phenylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 1-benzyl-N-butyl-2-[(2-chlorobenzoyl)amino]pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: N-butyl-2-[[(2-chlorophenyl)-oxomethyl]amino]-1-(phenylmethyl)-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 1-benzyl-N-butyl-2-[(2-chlorobenzoyl)amino]pyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 1-benzyl-N-butyl-2-[(2-chlorobenzoyl)amino]pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C29H26ClN5O2 MolecularWeight: 512.00204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CC4=CC=CC=C4)NC(=O)C5=CC=CC=C5Cl

Isomeric SMILES

CCCCNC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CC4=CC=CC=C4)NC(=O)C5=CC=CC=C5Cl

InChI

InChI=1S/C29H26ClN5O2/c1-2-3-17-31-29(37)24-25-27(33-23-16-10-9-15-22(23)32-25)35(18-19-11-5-4-6-12-19)26(24)34-28(36)20-13-7-8-14-21(20)30/h4-16H,2-3,17-18H2,1H3,(H,31,37)(H,34,36)