2-[[6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]amino]-5-(3-phenylprop-2-ynoxy)cyclohexa-2,5-diene-1,4-dione

Systemtic Name: 2-[[6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]amino]-5-(3-phenylprop-2-ynoxy)cyclohexa-2,5-diene-1,4-dione Openeye Name: 2-[[6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]amino]-5-(3-phenylprop-2-ynoxy)-1,4-benzoquinone CAS Name: 2-[[6-methoxy-7-[3-(1-pyrrolidinyl)propoxy]-4-quinazolinyl]amino]-5-(3-phenylprop-2-ynoxy)cyclohexa-2,5-diene-1,4-dione IUPAC Name: 2-[[6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]amino]-5-(3-phenylprop-2-ynoxy)cyclohexa-2,5-diene-1,4-dione Traditional Name: 2-[[6-methoxy-7-(3-pyrrolidinopropoxy)quinazolin-4-yl]amino]-5-(3-phenylprop-2-ynoxy)-p-benzoquinone Formula: C31H30N4O5 MolecularWeight: 538.5937

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=O)C(=CC3=O)OCC#CC4=CC=CC=C4)OCCCN5CCCC5

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=O)C(=CC3=O)OCC#CC4=CC=CC=C4)OCCCN5CCCC5

InChI

InChI=1S/C31H30N4O5/c1-38-29-17-23-24(19-30(29)40-16-8-14-35-12-5-6-13-35)32-21-33-31(23)34-25-18-27(37)28(20-26(25)36)39-15-7-11-22-9-3-2-4-10-22/h2-4,9-10,17-21H,5-6,8,12-16H2,1H3,(H,32,33,34)