6,7-dimethoxy-4-(3-prop-2-enyl-4-quinoxalin-2-yloxy-pyrrolidin-1-yl)quinazoline

Systemtic Name: 6,7-dimethoxy-4-(3-prop-2-enyl-4-quinoxalin-2-yloxy-pyrrolidin-1-yl)quinazoline Openeye Name: 4-(3-allyl-4-quinoxalin-2-yloxy-pyrrolidin-1-yl)-6,7-dimethoxy-quinazoline CAS Name: 6,7-dimethoxy-4-[3-prop-2-enyl-4-(2-quinoxalinyloxy)-1-pyrrolidinyl]quinazoline IUPAC Name: 6,7-dimethoxy-4-(3-prop-2-enyl-4-quinoxalin-2-yloxypyrrolidin-1-yl)quinazoline Traditional Name: 4-(3-allyl-4-quinoxalin-2-yloxy-pyrrolidino)-6,7-dimethoxy-quinazoline Formula: C25H25N5O3 MolecularWeight: 443.4977

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)N3CC(C(C3)OC4=NC5=CC=CC=C5N=C4)CC=C)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N3CC(C(C3)OC4=NC5=CC=CC=C5N=C4)CC=C)OC

InChI

InChI=1S/C25H25N5O3/c1-4-7-16-13-30(14-23(16)33-24-12-26-18-8-5-6-9-19(18)29-24)25-17-10-21(31-2)22(32-3)11-20(17)27-15-28-25/h4-6,8-12,15-16,23H,1,7,13-14H2,2-3H3