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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(6-methyl-2-pyridin-4-yl-quinolin-4-yl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[6-methyl-2-(4-pyridyl)-4-quinolyl]methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-(6-methyl-2-pyridin-4-yl-4-quinolinyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(6-methyl-2-pyridin-4-ylquinolin-4-yl)methanone Traditional Name: [6-methyl-2-(4-pyridyl)-4-quinolyl]-(4-piperonylpiperazino)methanone Formula: C28H26N4O3 MolecularWeight: 466.53104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C6=CC=NC=C6

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C6=CC=NC=C6

InChI

InChI=1S/C28H26N4O3/c1-19-2-4-24-22(14-19)23(16-25(30-24)21-6-8-29-9-7-21)28(33)32-12-10-31(11-13-32)17-20-3-5-26-27(15-20)35-18-34-26/h2-9,14-16H,10-13,17-18H2,1H3