N-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]-4-oxidanylidene-4-[4-(phenylmethyl)piperazin-1-yl]butanamide

Systemtic Name: N-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]-4-oxidanylidene-4-[4-(phenylmethyl)piperazin-1-yl]butanamide Openeye Name: 4-(4-benzylpiperazin-1-yl)-N-[4-methyl-2-(4-methyl-1-piperidyl)-6-quinolyl]-4-oxo-butanamide CAS Name: N-[4-methyl-2-(4-methyl-1-piperidinyl)-6-quinolinyl]-4-oxo-4-[4-(phenylmethyl)-1-piperazinyl]butanamide IUPAC Name: 4-(4-benzylpiperazin-1-yl)-N-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]-4-oxobutanamide Traditional Name: 4-(4-benzylpiperazino)-4-keto-N-[4-methyl-2-(4-methylpiperidino)-6-quinolyl]butyramide Formula: C31H39N5O2 MolecularWeight: 513.67366

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=NC3=C(C=C(C=C3)NC(=O)CCC(=O)N4CCN(CC4)CC5=CC=CC=C5)C(=C2)C

Isomeric SMILES

CC1CCN(CC1)C2=NC3=C(C=C(C=C3)NC(=O)CCC(=O)N4CCN(CC4)CC5=CC=CC=C5)C(=C2)C

InChI

InChI=1S/C31H39N5O2/c1-23-12-14-35(15-13-23)29-20-24(2)27-21-26(8-9-28(27)33-29)32-30(37)10-11-31(38)36-18-16-34(17-19-36)22-25-6-4-3-5-7-25/h3-9,20-21,23H,10-19,22H2,1-2H3,(H,32,37)