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

Systemtic Name: 2-azanyl-N-[(2S)-6-methylheptan-2-yl]-1-prop-2-enyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 1-allyl-2-amino-N-[(1S)-1,5-dimethylhexyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-N-[(2S)-6-methylheptan-2-yl]-1-prop-2-enyl-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-N-[(2S)-6-methylheptan-2-yl]-1-prop-2-enylpyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 1-allyl-2-amino-N-[(1S)-1,5-dimethylhexyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C22H29N5O MolecularWeight: 379.49856

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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)CC=C)N

Isomeric SMILES

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

InChI

InChI=1S/C22H29N5O/c1-5-13-27-20(23)18(22(28)24-15(4)10-8-9-14(2)3)19-21(27)26-17-12-7-6-11-16(17)25-19/h5-7,11-12,14-15H,1,8-10,13,23H2,2-4H3,(H,24,28)/t15-/m0/s1