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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[6-methyl-2-(1-methylpyrrol-2-yl)quinolin-4-yl]methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[6-methyl-2-(1-methylpyrrol-2-yl)-4-quinolyl]methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[6-methyl-2-(1-methyl-2-pyrrolyl)-4-quinolinyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[6-methyl-2-(1-methylpyrrol-2-yl)quinolin-4-yl]methanone Traditional Name: [6-methyl-2-(1-methylpyrrol-2-yl)-4-quinolyl]-(4-piperonylpiperazino)methanone Formula: C28H28N4O3 MolecularWeight: 468.54692

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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=CN6C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C6=CC=CN6C

InChI

InChI=1S/C28H28N4O3/c1-19-5-7-23-21(14-19)22(16-24(29-23)25-4-3-9-30(25)2)28(33)32-12-10-31(11-13-32)17-20-6-8-26-27(15-20)35-18-34-26/h3-9,14-16H,10-13,17-18H2,1-2H3