[4-[5-(aminomethyl)-2-methyl-phenyl]piperidin-1-yl]-(5-phenethylpyridin-3-yl)methanone

Systemtic Name: [4-[5-(aminomethyl)-2-methyl-phenyl]piperidin-1-yl]-(5-phenethylpyridin-3-yl)methanone Openeye Name: [4-[5-(aminomethyl)-2-methyl-phenyl]-1-piperidyl]-(5-phenethyl-3-pyridyl)methanone CAS Name: [4-[5-(aminomethyl)-2-methylphenyl]-1-piperidinyl]-(5-phenethyl-3-pyridinyl)methanone IUPAC Name: [4-[5-(aminomethyl)-2-methylphenyl]piperidin-1-yl]-(5-phenethylpyridin-3-yl)methanone Traditional Name: [4-[5-(aminomethyl)-2-methyl-phenyl]piperidino]-(5-phenethyl-3-pyridyl)methanone Formula: C27H31N3O MolecularWeight: 413.55454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CN)C2CCN(CC2)C(=O)C3=CC(=CN=C3)CCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)CN)C2CCN(CC2)C(=O)C3=CC(=CN=C3)CCC4=CC=CC=C4

InChI

InChI=1S/C27H31N3O/c1-20-7-8-22(17-28)16-26(20)24-11-13-30(14-12-24)27(31)25-15-23(18-29-19-25)10-9-21-5-3-2-4-6-21/h2-8,15-16,18-19,24H,9-14,17,28H2,1H3