2-azanyl-4-fluoranyl-4-[4-(3-methylphenyl)-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-1-phenyl-butan-1-one

Systemtic Name: 2-azanyl-4-fluoranyl-4-[4-(3-methylphenyl)-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-1-phenyl-butan-1-one Openeye Name: 2-amino-4-fluoro-4-[4-(m-tolyl)-4-(pyrrolidin-1-ylmethyl)-1-piperidyl]-1-phenyl-butan-1-one CAS Name: 2-amino-4-fluoro-4-[4-(3-methylphenyl)-4-(1-pyrrolidinylmethyl)-1-piperidinyl]-1-phenyl-1-butanone IUPAC Name: 2-amino-4-fluoro-4-[4-(3-methylphenyl)-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-1-phenylbutan-1-one Traditional Name: 2-amino-4-fluoro-4-[4-(m-tolyl)-4-(pyrrolidinomethyl)piperidino]-1-phenyl-butan-1-one Formula: C27H36FN3O MolecularWeight: 437.592643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2(CCN(CC2)C(CC(C(=O)C3=CC=CC=C3)N)F)CN4CCCC4

Isomeric SMILES

CC1=CC=CC(=C1)C2(CCN(CC2)C(CC(C(=O)C3=CC=CC=C3)N)F)CN4CCCC4

InChI

InChI=1S/C27H36FN3O/c1-21-8-7-11-23(18-21)27(20-30-14-5-6-15-30)12-16-31(17-13-27)25(28)19-24(29)26(32)22-9-3-2-4-10-22/h2-4,7-11,18,24-25H,5-6,12-17,19-20,29H2,1H3