2-azanyl-N-[(2S)-6-methylheptan-2-yl]-1-phenethyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide

Systemtic Name: 2-azanyl-N-[(2S)-6-methylheptan-2-yl]-1-phenethyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 2-amino-N-[(1S)-1,5-dimethylhexyl]-1-phenethyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-N-[(2S)-6-methylheptan-2-yl]-1-phenethyl-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-N-[(2S)-6-methylheptan-2-yl]-1-phenethylpyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 2-amino-N-[(1S)-1,5-dimethylhexyl]-1-phenethyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C27H33N5O MolecularWeight: 443.58382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)NC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CCC4=CC=CC=C4)N

Isomeric SMILES

C[C@@H](CCCC(C)C)NC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CCC4=CC=CC=C4)N

InChI

InChI=1S/C27H33N5O/c1-18(2)10-9-11-19(3)29-27(33)23-24-26(31-22-15-8-7-14-21(22)30-24)32(25(23)28)17-16-20-12-5-4-6-13-20/h4-8,12-15,18-19H,9-11,16-17,28H2,1-3H3,(H,29,33)/t19-/m0/s1