8-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-2-chloranyl-pyrido[2,1-b]quinazolin-11-one

Systemtic Name: 8-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-2-chloranyl-pyrido[2,1-b]quinazolin-11-one Openeye Name: 8-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-2-chloro-pyrido[2,1-b]quinazolin-11-one CAS Name: 8-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]-2-chloro-11-pyrido[2,1-b]quinazolinone IUPAC Name: 8-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-2-chloropyrido[2,1-b]quinazolin-11-one Traditional Name: 2-chloro-8-(4-piperonylpiperazine-1-carbonyl)pyrido[2,1-b]quinazolin-11-one Formula: C25H21ClN4O4 MolecularWeight: 476.91164

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CN5C(=NC6=C(C5=O)C=C(C=C6)Cl)C=C4

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CN5C(=NC6=C(C5=O)C=C(C=C6)Cl)C=C4

InChI

InChI=1S/C25H21ClN4O4/c26-18-3-4-20-19(12-18)25(32)30-14-17(2-6-23(30)27-20)24(31)29-9-7-28(8-10-29)13-16-1-5-21-22(11-16)34-15-33-21/h1-6,11-12,14H,7-10,13,15H2