4-[(4-fluorophenyl)methyl]-1-[(7-methoxy-3,4-dihydro-2H-1,4-benzoxazin-2-yl)carbonyl]piperidine-4-carbonitrile

Systemtic Name: 4-[(4-fluorophenyl)methyl]-1-[(7-methoxy-3,4-dihydro-2H-1,4-benzoxazin-2-yl)carbonyl]piperidine-4-carbonitrile Openeye Name: 4-[(4-fluorophenyl)methyl]-1-(7-methoxy-3,4-dihydro-2H-1,4-benzoxazine-2-carbonyl)piperidine-4-carbonitrile CAS Name: 4-[(4-fluorophenyl)methyl]-1-[(7-methoxy-3,4-dihydro-2H-1,4-benzoxazin-2-yl)-oxomethyl]-4-piperidinecarbonitrile IUPAC Name: 4-[(4-fluorophenyl)methyl]-1-(7-methoxy-3,4-dihydro-2H-1,4-benzoxazine-2-carbonyl)piperidine-4-carbonitrile Traditional Name: 4-(4-fluorobenzyl)-1-(7-methoxy-3,4-dihydro-2H-1,4-benzoxazine-2-carbonyl)isonipecotonitrile Formula: C23H24FN3O3 MolecularWeight: 409.453363

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NCC(O2)C(=O)N3CCC(CC3)(CC4=CC=C(C=C4)F)C#N

Isomeric SMILES

COC1=CC2=C(C=C1)NCC(O2)C(=O)N3CCC(CC3)(CC4=CC=C(C=C4)F)C#N

InChI

InChI=1S/C23H24FN3O3/c1-29-18-6-7-19-20(12-18)30-21(14-26-19)22(28)27-10-8-23(15-25,9-11-27)13-16-2-4-17(24)5-3-16/h2-7,12,21,26H,8-11,13-14H2,1H3