[4-(isocyanomethyl)-3-methyl-piperazin-1-yl]-phenyl-methanone

Systemtic Name: [4-(isocyanomethyl)-3-methyl-piperazin-1-yl]-phenyl-methanone Openeye Name: [4-(isocyanomethyl)-3-methyl-piperazin-1-yl]-phenyl-methanone CAS Name: [4-(isocyanomethyl)-3-methyl-1-piperazinyl]-phenylmethanone IUPAC Name: [4-(isocyanomethyl)-3-methylpiperazin-1-yl]-phenylmethanone Traditional Name: [4-(isocyanomethyl)-3-methyl-piperazino]-phenyl-methanone Formula: C14H17N3O MolecularWeight: 243.30428

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C[N+]#[C-])C(=O)C2=CC=CC=C2

Isomeric SMILES

CC1CN(CCN1C[N+]#[C-])C(=O)C2=CC=CC=C2

InChI

InChI=1S/C14H17N3O/c1-12-10-16(8-9-17(12)11-15-2)14(18)13-6-4-3-5-7-13/h3-7,12H,8-11H2,1H3