2-azanyl-N-[(4-methylphenyl)methyl]-1-prop-2-enyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide

Systemtic Name: 2-azanyl-N-[(4-methylphenyl)methyl]-1-prop-2-enyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 1-allyl-2-amino-N-(p-tolylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-N-[(4-methylphenyl)methyl]-1-prop-2-enyl-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-N-[(4-methylphenyl)methyl]-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 1-allyl-2-amino-N-(4-methylbenzyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C22H21N5O MolecularWeight: 371.43504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)CC=C)N

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)CC=C)N

InChI

InChI=1S/C22H21N5O/c1-3-12-27-20(23)18(22(28)24-13-15-10-8-14(2)9-11-15)19-21(27)26-17-7-5-4-6-16(17)25-19/h3-11H,1,12-13,23H2,2H3,(H,24,28)