1-[[3-[(4-isocyanophenyl)methyl]-2-methyl-imidazol-4-yl]methyl]-4-[(3-methylphenyl)methyl]piperidine-4-carbonitrile

Systemtic Name: 1-[[3-[(4-isocyanophenyl)methyl]-2-methyl-imidazol-4-yl]methyl]-4-[(3-methylphenyl)methyl]piperidine-4-carbonitrile Openeye Name: 1-[[3-[(4-isocyanophenyl)methyl]-2-methyl-imidazol-4-yl]methyl]-4-(m-tolylmethyl)piperidine-4-carbonitrile CAS Name: 1-[[3-[(4-isocyanophenyl)methyl]-2-methyl-4-imidazolyl]methyl]-4-[(3-methylphenyl)methyl]-4-piperidinecarbonitrile IUPAC Name: 1-[[3-[(4-isocyanophenyl)methyl]-2-methylimidazol-4-yl]methyl]-4-[(3-methylphenyl)methyl]piperidine-4-carbonitrile Traditional Name: 1-[[3-(4-isocyanobenzyl)-2-methyl-imidazol-4-yl]methyl]-4-(3-methylbenzyl)isonipecotonitrile Formula: C27H29N5 MolecularWeight: 423.55266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CC2(CCN(CC2)CC3=CN=C(N3CC4=CC=C(C=C4)[N+]#[C-])C)C#N

Isomeric SMILES

CC1=CC(=CC=C1)CC2(CCN(CC2)CC3=CN=C(N3CC4=CC=C(C=C4)[N+]#[C-])C)C#N

InChI

InChI=1S/C27H29N5/c1-21-5-4-6-24(15-21)16-27(20-28)11-13-31(14-12-27)19-26-17-30-22(2)32(26)18-23-7-9-25(29-3)10-8-23/h4-10,15,17H,11-14,16,18-19H2,1-2H3