[1-[(1E)-1-(2-azanylethoxyimino)-1-phenyl-butan-2-yl]piperidin-4-yl]-(3-methylphenyl)methanone

Systemtic Name: [1-[(1E)-1-(2-azanylethoxyimino)-1-phenyl-butan-2-yl]piperidin-4-yl]-(3-methylphenyl)methanone Openeye Name: [1-[1-[(E)-N-(2-aminoethoxy)-C-phenyl-carbonimidoyl]propyl]-4-piperidyl]-(m-tolyl)methanone CAS Name: [1-[(1E)-1-(2-aminoethoxyimino)-1-phenylbutan-2-yl]-4-piperidinyl]-(3-methylphenyl)methanone IUPAC Name: [1-[(1E)-1-(2-aminoethoxyimino)-1-phenylbutan-2-yl]piperidin-4-yl]-(3-methylphenyl)methanone Traditional Name: [1-[1-[(E)-N-(2-aminoethoxy)-C-phenyl-carbonimidoyl]propyl]-4-piperidyl]-(m-tolyl)methanone Formula: C25H33N3O2 MolecularWeight: 407.54842

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=NOCCN)C1=CC=CC=C1)N2CCC(CC2)C(=O)C3=CC(=CC=C3)C

Isomeric SMILES

CCC(/C(=N/OCCN)/C1=CC=CC=C1)N2CCC(CC2)C(=O)C3=CC(=CC=C3)C

InChI

InChI=1S/C25H33N3O2/c1-3-23(24(27-30-17-14-26)20-9-5-4-6-10-20)28-15-12-21(13-16-28)25(29)22-11-7-8-19(2)18-22/h4-11,18,21,23H,3,12-17,26H2,1-2H3/b27-24+