N'-(1,3-benzodioxol-5-ylmethyl)-N-cyano-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]piperazine-1-carboximidamide

Systemtic Name: N'-(1,3-benzodioxol-5-ylmethyl)-N-cyano-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]piperazine-1-carboximidamide Openeye Name: N'-(1,3-benzodioxol-5-ylmethyl)-N-cyano-4-[6-methoxy-7-[3-(1-piperidyl)propoxy]quinazolin-4-yl]piperazine-1-carboxamidine CAS Name: N'-(1,3-benzodioxol-5-ylmethyl)-N-cyano-4-[6-methoxy-7-[3-(1-piperidinyl)propoxy]-4-quinazolinyl]-1-piperazinecarboximidamide IUPAC Name: N'-(1,3-benzodioxol-5-ylmethyl)-N-cyano-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinazolin-4-yl]piperazine-1-carboximidamide Traditional Name: N-cyano-4-[6-methoxy-7-(3-piperidinopropoxy)quinazolin-4-yl]-N'-piperonyl-piperazine-1-carboxamidine Formula: C31H38N8O4 MolecularWeight: 586.68462

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=NCC4=CC5=C(C=C4)OCO5)NC#N)OCCCN6CCCCC6

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=NCC4=CC5=C(C=C4)OCO5)NC#N)OCCCN6CCCCC6

InChI

InChI=1S/C31H38N8O4/c1-40-27-17-24-25(18-29(27)41-15-5-10-37-8-3-2-4-9-37)35-21-36-30(24)38-11-13-39(14-12-38)31(34-20-32)33-19-23-6-7-26-28(16-23)43-22-42-26/h6-7,16-18,21H,2-5,8-15,19,22H2,1H3,(H,33,34)