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

Systemtic Name: 2-azanyl-N-[(4-chlorophenyl)methyl]-1-prop-2-enyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 1-allyl-2-amino-N-[(4-chlorophenyl)methyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-N-[(4-chlorophenyl)methyl]-1-prop-2-enyl-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-N-[(4-chlorophenyl)methyl]-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 1-allyl-2-amino-N-(4-chlorobenzyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C21H18ClN5O MolecularWeight: 391.85352

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=C(C2=NC3=CC=CC=C3N=C21)C(=O)NCC4=CC=C(C=C4)Cl)N

Isomeric SMILES

C=CCN1C(=C(C2=NC3=CC=CC=C3N=C21)C(=O)NCC4=CC=C(C=C4)Cl)N

InChI

InChI=1S/C21H18ClN5O/c1-2-11-27-19(23)17(21(28)24-12-13-7-9-14(22)10-8-13)18-20(27)26-16-6-4-3-5-15(16)25-18/h2-10H,1,11-12,23H2,(H,24,28)