3,3-dimethyl-1-[4-(pyridin-4-ylmethyl)piperidin-1-yl]-2-pyrrol-1-yl-butan-1-one

Systemtic Name: 3,3-dimethyl-1-[4-(pyridin-4-ylmethyl)piperidin-1-yl]-2-pyrrol-1-yl-butan-1-one Openeye Name: 3,3-dimethyl-1-[4-(4-pyridylmethyl)-1-piperidyl]-2-pyrrol-1-yl-butan-1-one CAS Name: 3,3-dimethyl-1-[4-(pyridin-4-ylmethyl)-1-piperidinyl]-2-(1-pyrrolyl)-1-butanone IUPAC Name: 3,3-dimethyl-1-[4-(pyridin-4-ylmethyl)piperidin-1-yl]-2-pyrrol-1-ylbutan-1-one Traditional Name: 3,3-dimethyl-1-[4-(4-pyridylmethyl)piperidino]-2-pyrrol-1-yl-butan-1-one Formula: C21H29N3O MolecularWeight: 339.47446

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)N1CCC(CC1)CC2=CC=NC=C2)N3C=CC=C3

Isomeric SMILES

CC(C)(C)C(C(=O)N1CCC(CC1)CC2=CC=NC=C2)N3C=CC=C3

InChI

InChI=1S/C21H29N3O/c1-21(2,3)19(23-12-4-5-13-23)20(25)24-14-8-18(9-15-24)16-17-6-10-22-11-7-17/h4-7,10-13,18-19H,8-9,14-16H2,1-3H3