3-methyl-1-[4-(phenylmethyl)piperazin-1-yl]-2-(propan-2-ylamino)butan-1-one

Systemtic Name: 3-methyl-1-[4-(phenylmethyl)piperazin-1-yl]-2-(propan-2-ylamino)butan-1-one Openeye Name: 1-(4-benzylpiperazin-1-yl)-2-(isopropylamino)-3-methyl-butan-1-one CAS Name: 3-methyl-1-[4-(phenylmethyl)-1-piperazinyl]-2-(propan-2-ylamino)-1-butanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-3-methyl-2-(propan-2-ylamino)butan-1-one Traditional Name: 1-(4-benzylpiperazino)-2-(isopropylamino)-3-methyl-butan-1-one Formula: C19H31N3O MolecularWeight: 317.46894

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCN(CC1)CC2=CC=CC=C2)NC(C)C

Isomeric SMILES

CC(C)C(C(=O)N1CCN(CC1)CC2=CC=CC=C2)NC(C)C

InChI

InChI=1S/C19H31N3O/c1-15(2)18(20-16(3)4)19(23)22-12-10-21(11-13-22)14-17-8-6-5-7-9-17/h5-9,15-16,18,20H,10-14H2,1-4H3