2-[4-[6-methoxy-7-(3-pyrrolidin-3-ylpropoxy)quinazolin-4-yl]piperazin-1-yl]-4-methylsulfonyl-benzamide

Systemtic Name: 2-[4-[6-methoxy-7-(3-pyrrolidin-3-ylpropoxy)quinazolin-4-yl]piperazin-1-yl]-4-methylsulfonyl-benzamide Openeye Name: 2-[4-[6-methoxy-7-(3-pyrrolidin-3-ylpropoxy)quinazolin-4-yl]piperazin-1-yl]-4-methylsulfonyl-benzamide CAS Name: 2-[4-[6-methoxy-7-[3-(3-pyrrolidinyl)propoxy]-4-quinazolinyl]-1-piperazinyl]-4-methylsulfonylbenzamide IUPAC Name: 2-[4-[6-methoxy-7-(3-pyrrolidin-3-ylpropoxy)quinazolin-4-yl]piperazin-1-yl]-4-methylsulfonylbenzamide Traditional Name: 4-mesyl-2-[4-[6-methoxy-7-(3-pyrrolidin-3-ylpropoxy)quinazolin-4-yl]piperazino]benzamide 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)C4=C(C=CC(=C4)S(=O)(=O)C)C(=O)N)OCCCC5CCNC5

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C4=C(C=CC(=C4)S(=O)(=O)C)C(=O)N)OCCCC5CCNC5

InChI

InChI=1S/C28H36N6O5S/c1-38-25-15-22-23(16-26(25)39-13-3-4-19-7-8-30-17-19)31-18-32-28(22)34-11-9-33(10-12-34)24-14-20(40(2,36)37)5-6-21(24)27(29)35/h5-6,14-16,18-19,30H,3-4,7-13,17H2,1-2H3,(H2,29,35)