3-[[cyclohexylmethyl-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]amino]methyl]benzenecarbonitrile

Systemtic Name: 3-[[cyclohexylmethyl-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]amino]methyl]benzenecarbonitrile Openeye Name: 3-[[cyclohexylmethyl-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]amino]methyl]benzonitrile CAS Name: 3-[[cyclohexylmethyl-[[1-[(3-methoxyphenyl)methyl]-2-pyrrolyl]methyl]amino]methyl]benzonitrile IUPAC Name: 3-[[cyclohexylmethyl-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]amino]methyl]benzonitrile Traditional Name: 3-[[cyclohexylmethyl-[(1-m-anisylpyrrol-2-yl)methyl]amino]methyl]benzonitrile Formula: C28H33N3O MolecularWeight: 427.58112

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2C=CC=C2CN(CC3CCCCC3)CC4=CC=CC(=C4)C#N

Isomeric SMILES

COC1=CC=CC(=C1)CN2C=CC=C2CN(CC3CCCCC3)CC4=CC=CC(=C4)C#N

InChI

InChI=1S/C28H33N3O/c1-32-28-14-6-12-26(17-28)21-31-15-7-13-27(31)22-30(19-23-8-3-2-4-9-23)20-25-11-5-10-24(16-25)18-29/h5-7,10-17,23H,2-4,8-9,19-22H2,1H3