(E)-1-[4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)-1,4-diazepan-1-yl]-3-pyridin-3-yl-prop-2-en-1-one

Systemtic Name: (E)-1-[4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)-1,4-diazepan-1-yl]-3-pyridin-3-yl-prop-2-en-1-one Openeye Name: (E)-1-[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)-1,4-diazepan-1-yl]-3-(3-pyridyl)prop-2-en-1-one CAS Name: (E)-1-[4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1,4-diazepan-1-yl]-3-(3-pyridinyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-1,4-diazepan-1-yl]-3-pyridin-3-ylprop-2-en-1-one Traditional Name: (E)-1-[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)-1,4-diazepan-1-yl]-3-(3-pyridyl)prop-2-en-1-one Formula: C23H26N6O3 MolecularWeight: 434.49094

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCCN(CC3)C(=O)C=CC4=CN=CC=C4)N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCCN(CC3)C(=O)/C=C/C4=CN=CC=C4)N)OC

InChI

InChI=1S/C23H26N6O3/c1-31-19-13-17-18(14-20(19)32-2)26-23(27-22(17)24)29-10-4-9-28(11-12-29)21(30)7-6-16-5-3-8-25-15-16/h3,5-8,13-15H,4,9-12H2,1-2H3,(H2,24,26,27)/b7-6+