3-[(1,3-benzodioxol-5-ylmethylamino)methyl]-7-methyl-1-(2-phenoxyethyl)quinolin-2-one

Systemtic Name: 3-[(1,3-benzodioxol-5-ylmethylamino)methyl]-7-methyl-1-(2-phenoxyethyl)quinolin-2-one Openeye Name: 3-[(1,3-benzodioxol-5-ylmethylamino)methyl]-7-methyl-1-(2-phenoxyethyl)quinolin-2-one CAS Name: 3-[(1,3-benzodioxol-5-ylmethylamino)methyl]-7-methyl-1-(2-phenoxyethyl)-2-quinolinone IUPAC Name: 3-[(1,3-benzodioxol-5-ylmethylamino)methyl]-7-methyl-1-(2-phenoxyethyl)quinolin-2-one Traditional Name: 7-methyl-1-(2-phenoxyethyl)-3-[(piperonylamino)methyl]carbostyril Formula: C27H26N2O4 MolecularWeight: 442.50634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C=C(C(=O)N2CCOC3=CC=CC=C3)CNCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC2=C(C=C1)C=C(C(=O)N2CCOC3=CC=CC=C3)CNCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H26N2O4/c1-19-7-9-21-15-22(17-28-16-20-8-10-25-26(14-20)33-18-32-25)27(30)29(24(21)13-19)11-12-31-23-5-3-2-4-6-23/h2-10,13-15,28H,11-12,16-18H2,1H3