[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(6-chloranyl-2-pyridin-3-yl-quinolin-4-yl)methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(6-chloranyl-2-pyridin-3-yl-quinolin-4-yl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[6-chloro-2-(3-pyridyl)-4-quinolyl]methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[6-chloro-2-(3-pyridinyl)-4-quinolinyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(6-chloro-2-pyridin-3-ylquinolin-4-yl)methanone Traditional Name: [6-chloro-2-(3-pyridyl)-4-quinolyl]-(4-piperonylpiperazino)methanone Formula: C27H23ClN4O3 MolecularWeight: 486.94952

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC(=NC5=C4C=C(C=C5)Cl)C6=CN=CC=C6

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC(=NC5=C4C=C(C=C5)Cl)C6=CN=CC=C6

InChI

InChI=1S/C27H23ClN4O3/c28-20-4-5-23-21(13-20)22(14-24(30-23)19-2-1-7-29-15-19)27(33)32-10-8-31(9-11-32)16-18-3-6-25-26(12-18)35-17-34-25/h1-7,12-15H,8-11,16-17H2