N-(1H-indol-5-yl)-6-methoxy-7-[(E)-4-pyrrolidin-1-ylbut-2-enoxy]quinazolin-4-amine

Systemtic Name: N-(1H-indol-5-yl)-6-methoxy-7-[(E)-4-pyrrolidin-1-ylbut-2-enoxy]quinazolin-4-amine Openeye Name: N-(1H-indol-5-yl)-6-methoxy-7-[(E)-4-pyrrolidin-1-ylbut-2-enoxy]quinazolin-4-amine CAS Name: N-(1H-indol-5-yl)-6-methoxy-7-[(E)-4-(1-pyrrolidinyl)but-2-enoxy]-4-quinazolinamine IUPAC Name: N-(1H-indol-5-yl)-6-methoxy-7-[(E)-4-pyrrolidin-1-ylbut-2-enoxy]quinazolin-4-amine Traditional Name: 1H-indol-5-yl-[6-methoxy-7-[(E)-4-pyrrolidinobut-2-enoxy]quinazolin-4-yl]amine Formula: C25H27N5O2 MolecularWeight: 429.51418

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC4=C(C=C3)NC=C4)OCC=CCN5CCCC5

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC4=C(C=C3)NC=C4)OC/C=C/CN5CCCC5

InChI

InChI=1S/C25H27N5O2/c1-31-23-15-20-22(16-24(23)32-13-5-4-12-30-10-2-3-11-30)27-17-28-25(20)29-19-6-7-21-18(14-19)8-9-26-21/h4-9,14-17,26H,2-3,10-13H2,1H3,(H,27,28,29)/b5-4+