2-methyl-6-(2-methylpropoxy)-3-[[4-(phenylmethyl)piperazin-1-yl]methyl]-1H-quinolin-4-one

Systemtic Name: 2-methyl-6-(2-methylpropoxy)-3-[[4-(phenylmethyl)piperazin-1-yl]methyl]-1H-quinolin-4-one Openeye Name: 3-[(4-benzylpiperazin-1-yl)methyl]-6-isobutoxy-2-methyl-1H-quinolin-4-one CAS Name: 2-methyl-6-(2-methylpropoxy)-3-[[4-(phenylmethyl)-1-piperazinyl]methyl]-1H-quinolin-4-one IUPAC Name: 3-[(4-benzylpiperazin-1-yl)methyl]-2-methyl-6-(2-methylpropoxy)-1H-quinolin-4-one Traditional Name: 3-[(4-benzylpiperazino)methyl]-6-isobutoxy-2-methyl-4-quinolone Formula: C26H33N3O2 MolecularWeight: 419.55912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(N1)C=CC(=C2)OCC(C)C)CN3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)C2=C(N1)C=CC(=C2)OCC(C)C)CN3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H33N3O2/c1-19(2)18-31-22-9-10-25-23(15-22)26(30)24(20(3)27-25)17-29-13-11-28(12-14-29)16-21-7-5-4-6-8-21/h4-10,15,19H,11-14,16-18H2,1-3H3,(H,27,30)