2-azanyl-1-(3-methylphenyl)-N-phenethyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide

Systemtic Name: 2-azanyl-1-(3-methylphenyl)-N-phenethyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 2-amino-1-(m-tolyl)-N-phenethyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-1-(3-methylphenyl)-N-phenethyl-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-1-(3-methylphenyl)-N-phenethylpyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 2-amino-1-(m-tolyl)-N-phenethyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C26H23N5O MolecularWeight: 421.49372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NCCC5=CC=CC=C5)N

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NCCC5=CC=CC=C5)N

InChI

InChI=1S/C26H23N5O/c1-17-8-7-11-19(16-17)31-24(27)22(26(32)28-15-14-18-9-3-2-4-10-18)23-25(31)30-21-13-6-5-12-20(21)29-23/h2-13,16H,14-15,27H2,1H3,(H,28,32)