2-azanyl-1-(3,4-dimethoxyphenyl)-N-[(2S)-6-methylheptan-2-yl]pyrrolo[3,2-b]quinoxaline-3-carboxamide

Systemtic Name: 2-azanyl-1-(3,4-dimethoxyphenyl)-N-[(2S)-6-methylheptan-2-yl]pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 2-amino-1-(3,4-dimethoxyphenyl)-N-[(1S)-1,5-dimethylhexyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-1-(3,4-dimethoxyphenyl)-N-[(2S)-6-methylheptan-2-yl]-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-1-(3,4-dimethoxyphenyl)-N-[(2S)-6-methylheptan-2-yl]pyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 2-amino-1-(3,4-dimethoxyphenyl)-N-[(1S)-1,5-dimethylhexyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C27H33N5O3 MolecularWeight: 475.58262

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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)C4=CC(=C(C=C4)OC)OC)N

Isomeric SMILES

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

InChI

InChI=1S/C27H33N5O3/c1-16(2)9-8-10-17(3)29-27(33)23-24-26(31-20-12-7-6-11-19(20)30-24)32(25(23)28)18-13-14-21(34-4)22(15-18)35-5/h6-7,11-17H,8-10,28H2,1-5H3,(H,29,33)/t17-/m0/s1