1-[4-[[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]methyl]piperazin-1-yl]nonan-1-one

Systemtic Name: 1-[4-[[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]methyl]piperazin-1-yl]nonan-1-one Openeye Name: 1-[4-[[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]methyl]piperazin-1-yl]nonan-1-one CAS Name: 1-[4-[[3-[(4-isocyanophenyl)methyl]-4-imidazolyl]methyl]-1-piperazinyl]-1-nonanone IUPAC Name: 1-[4-[[3-[(4-isocyanophenyl)methyl]imidazol-4-yl]methyl]piperazin-1-yl]nonan-1-one Traditional Name: 1-[4-[[3-(4-isocyanobenzyl)imidazol-4-yl]methyl]piperazino]nonan-1-one Formula: C25H35N5O MolecularWeight: 421.5783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H35N5O/c1-3-4-5-6-7-8-9-25(31)29-16-14-28(15-17-29)20-24-18-27-21-30(24)19-22-10-12-23(26-2)13-11-22/h10-13,18,21H,3-9,14-17,19-20H2,1H3