2-ethyl-1-[4-[[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]methyl]piperazin-1-yl]-2-methyl-butan-1-one

Systemtic Name: 2-ethyl-1-[4-[[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]methyl]piperazin-1-yl]-2-methyl-butan-1-one Openeye Name: 2-ethyl-1-[4-[[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]methyl]piperazin-1-yl]-2-methyl-butan-1-one CAS Name: 2-ethyl-1-[4-[[3-[(4-isocyanophenyl)methyl]-4-imidazolyl]methyl]-1-piperazinyl]-2-methyl-1-butanone IUPAC Name: 2-ethyl-1-[4-[[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]methyl]piperazin-1-yl]-2-methylbutan-1-one Traditional Name: 2-ethyl-1-[4-[[3-(4-isocyanobenzyl)imidazol-4-yl]methyl]piperazino]-2-methyl-butan-1-one Formula: C23H31N5O MolecularWeight: 393.52514

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(CC)C(=O)N1CCN(CC1)CC2=CN=CN2CC3=CC=C(C=C3)[N+]#[C-]

Isomeric SMILES

CCC(C)(CC)C(=O)N1CCN(CC1)CC2=CN=CN2CC3=CC=C(C=C3)[N+]#[C-]

InChI

InChI=1S/C23H31N5O/c1-5-23(3,6-2)22(29)27-13-11-26(12-14-27)17-21-15-25-18-28(21)16-19-7-9-20(24-4)10-8-19/h7-10,15,18H,5-6,11-14,16-17H2,1-3H3