4-[[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]amino]-6-chloranyl-1-(1H-imidazol-5-ylmethyl)quinazolin-2-one

Systemtic Name: 4-[[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]amino]-6-chloranyl-1-(1H-imidazol-5-ylmethyl)quinazolin-2-one Openeye Name: 4-[[1-(1,3-benzodioxol-5-ylmethyl)-4-piperidyl]amino]-6-chloro-1-(1H-imidazol-5-ylmethyl)quinazolin-2-one CAS Name: 4-[[1-(1,3-benzodioxol-5-ylmethyl)-4-piperidinyl]amino]-6-chloro-1-(1H-imidazol-5-ylmethyl)-2-quinazolinone IUPAC Name: 4-[[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]amino]-6-chloro-1-(1H-imidazol-5-ylmethyl)quinazolin-2-one Traditional Name: 6-chloro-1-(1H-imidazol-5-ylmethyl)-4-[(1-piperonyl-4-piperidyl)amino]quinazolin-2-one Formula: C25H25ClN6O3 MolecularWeight: 492.9574

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC2=NC(=O)N(C3=C2C=C(C=C3)Cl)CC4=CN=CN4)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CN(CCC1NC2=NC(=O)N(C3=C2C=C(C=C3)Cl)CC4=CN=CN4)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C25H25ClN6O3/c26-17-2-3-21-20(10-17)24(30-25(33)32(21)13-19-11-27-14-28-19)29-18-5-7-31(8-6-18)12-16-1-4-22-23(9-16)35-15-34-22/h1-4,9-11,14,18H,5-8,12-13,15H2,(H,27,28)(H,29,30,33)