6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-3-chloranyl-pyrido[2,1-b]quinazolin-11-one

Systemtic Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-3-chloranyl-pyrido[2,1-b]quinazolin-11-one Openeye Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-3-chloro-pyrido[2,1-b]quinazolin-11-one CAS Name: 6-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]-3-chloro-11-pyrido[2,1-b]quinazolinone IUPAC Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-3-chloropyrido[2,1-b]quinazolin-11-one Traditional Name: 3-chloro-6-(4-piperonylpiperazine-1-carbonyl)pyrido[2,1-b]quinazolin-11-one Formula: C25H21ClN4O4 MolecularWeight: 476.91164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=CN5C4=NC6=C(C5=O)C=CC(=C6)Cl

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=CN5C4=NC6=C(C5=O)C=CC(=C6)Cl

InChI

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