2-azanyl-N,1-bis[2-(3,4-dimethoxyphenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide

Systemtic Name: 2-azanyl-N,1-bis[2-(3,4-dimethoxyphenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 2-amino-N,1-bis[2-(3,4-dimethoxyphenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-N,1-bis[2-(3,4-dimethoxyphenyl)ethyl]-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-N,1-bis[2-(3,4-dimethoxyphenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 2-amino-N,1-dihomoveratryl-pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C31H33N5O5 MolecularWeight: 555.62422

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)CCC5=CC(=C(C=C5)OC)OC)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)CCC5=CC(=C(C=C5)OC)OC)N)OC

InChI

InChI=1S/C31H33N5O5/c1-38-23-11-9-19(17-25(23)40-3)13-15-33-31(37)27-28-30(35-22-8-6-5-7-21(22)34-28)36(29(27)32)16-14-20-10-12-24(39-2)26(18-20)41-4/h5-12,17-18H,13-16,32H2,1-4H3,(H,33,37)