4-[3-[4-[[5-chloranyl-7-(3-methoxyprop-1-ynyl)-1,3-benzodioxol-4-yl]amino]-6-methoxy-quinazolin-7-yl]oxypropyl]piperazin-2-one

Systemtic Name: 4-[3-[4-[[5-chloranyl-7-(3-methoxyprop-1-ynyl)-1,3-benzodioxol-4-yl]amino]-6-methoxy-quinazolin-7-yl]oxypropyl]piperazin-2-one Openeye Name: 4-[3-[4-[[5-chloro-7-(3-methoxyprop-1-ynyl)-1,3-benzodioxol-4-yl]amino]-6-methoxy-quinazolin-7-yl]oxypropyl]piperazin-2-one CAS Name: 4-[3-[[4-[[5-chloro-7-(3-methoxyprop-1-ynyl)-1,3-benzodioxol-4-yl]amino]-6-methoxy-7-quinazolinyl]oxy]propyl]-2-piperazinone IUPAC Name: 4-[3-[4-[[5-chloro-7-(3-methoxyprop-1-ynyl)-1,3-benzodioxol-4-yl]amino]-6-methoxyquinazolin-7-yl]oxypropyl]piperazin-2-one Traditional Name: 4-[3-[4-[[5-chloro-7-(3-methoxyprop-1-ynyl)-1,3-benzodioxol-4-yl]amino]-6-methoxy-quinazolin-7-yl]oxypropyl]piperazin-2-one Formula: C27H28ClN5O6 MolecularWeight: 553.99412

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Descriptors Computed from Structure

Canonical SMILES:

COCC#CC1=CC(=C(C2=C1OCO2)NC3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCNC(=O)C5)Cl

Isomeric SMILES

COCC#CC1=CC(=C(C2=C1OCO2)NC3=NC=NC4=CC(=C(C=C43)OC)OCCCN5CCNC(=O)C5)Cl

InChI

InChI=1S/C27H28ClN5O6/c1-35-9-3-5-17-11-19(28)24(26-25(17)38-16-39-26)32-27-18-12-21(36-2)22(13-20(18)30-15-31-27)37-10-4-7-33-8-6-29-23(34)14-33/h11-13,15H,4,6-10,14,16H2,1-2H3,(H,29,34)(H,30,31,32)