(E)-1-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]-2-nitro-N-(pyridin-4-ylmethyl)ethenamine

Systemtic Name: (E)-1-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]-2-nitro-N-(pyridin-4-ylmethyl)ethenamine Openeye Name: (E)-1-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]-2-nitro-N-(4-pyridylmethyl)ethenamine CAS Name: (E)-1-[4-(6,7-dimethoxy-4-quinazolinyl)-1-piperazinyl]-2-nitro-N-(pyridin-4-ylmethyl)ethenamine IUPAC Name: (E)-1-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]-2-nitro-N-(pyridin-4-ylmethyl)ethenamine Traditional Name: [(E)-1-[4-(6,7-dimethoxyquinazolin-4-yl)piperazino]-2-nitro-vinyl]-(4-pyridylmethyl)amine Formula: C22H25N7O4 MolecularWeight: 451.4784

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=C[N+](=O)[O-])NCC4=CC=NC=C4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)/C(=C/[N+](=O)[O-])/NCC4=CC=NC=C4)OC

InChI

InChI=1S/C22H25N7O4/c1-32-19-11-17-18(12-20(19)33-2)25-15-26-22(17)28-9-7-27(8-10-28)21(14-29(30)31)24-13-16-3-5-23-6-4-16/h3-6,11-12,14-15,24H,7-10,13H2,1-2H3/b21-14+