4-[6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]-N-(4-methylsulfonylphenyl)piperazine-1-carboxamide

Systemtic Name: 4-[6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]-N-(4-methylsulfonylphenyl)piperazine-1-carboxamide Openeye Name: 4-[6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]-N-(4-methylsulfonylphenyl)piperazine-1-carboxamide CAS Name: 4-[6-methoxy-7-[3-(1-pyrrolidinyl)propoxy]-4-quinazolinyl]-N-(4-methylsulfonylphenyl)-1-piperazinecarboxamide IUPAC Name: 4-[6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]-N-(4-methylsulfonylphenyl)piperazine-1-carboxamide Traditional Name: N-(4-mesylphenyl)-4-[6-methoxy-7-(3-pyrrolidinopropoxy)quinazolin-4-yl]piperazine-1-carboxamide Formula: C28H36N6O5S MolecularWeight: 568.68764

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=O)NC4=CC=C(C=C4)S(=O)(=O)C)OCCCN5CCCC5

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=O)NC4=CC=C(C=C4)S(=O)(=O)C)OCCCN5CCCC5

InChI

InChI=1S/C28H36N6O5S/c1-38-25-18-23-24(19-26(25)39-17-5-12-32-10-3-4-11-32)29-20-30-27(23)33-13-15-34(16-14-33)28(35)31-21-6-8-22(9-7-21)40(2,36)37/h6-9,18-20H,3-5,10-17H2,1-2H3,(H,31,35)