1-(2-methylquinolin-3-yl)ethanone; 1-(phenylmethyl)piperazine

Systemtic Name: 1-(2-methylquinolin-3-yl)ethanone; 1-(phenylmethyl)piperazine Openeye Name: 1-benzylpiperazine; 1-(2-methyl-3-quinolyl)ethanone CAS Name: 1-(2-methyl-3-quinolinyl)ethanone; 1-(phenylmethyl)piperazine IUPAC Name: 1-benzylpiperazine; 1-(2-methylquinolin-3-yl)ethanone Traditional Name: 1-benzylpiperazine; 1-(2-methyl-3-quinolyl)ethanone Formula: C23H27N3O MolecularWeight: 361.47998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C=C1C(=O)C.C1CN(CCN1)CC2=CC=CC=C2

Isomeric SMILES

CC1=NC2=CC=CC=C2C=C1C(=O)C.C1CN(CCN1)CC2=CC=CC=C2

InChI

InChI=1S/C12H11NO.C11H16N2/c1-8-11(9(2)14)7-10-5-3-4-6-12(10)13-8;1-2-4-11(5-3-1)10-13-8-6-12-7-9-13/h3-7H,1-2H3;1-5,12H,6-10H2