3-[3-[[butyl-[(1-ethanimidoylpiperidin-4-yl)methyl]amino]methyl]-5-methyl-phenyl]benzenecarboximidamide

Systemtic Name: 3-[3-[[butyl-[(1-ethanimidoylpiperidin-4-yl)methyl]amino]methyl]-5-methyl-phenyl]benzenecarboximidamide Openeye Name: 3-[3-[[butyl-[(1-ethanimidoyl-4-piperidyl)methyl]amino]methyl]-5-methyl-phenyl]benzamidine CAS Name: 3-[3-[[butyl-[[1-(1-iminoethyl)-4-piperidinyl]methyl]amino]methyl]-5-methylphenyl]benzenecarboximidamide IUPAC Name: 3-[3-[[butyl-[(1-ethanimidoylpiperidin-4-yl)methyl]amino]methyl]-5-methylphenyl]benzenecarboximidamide Traditional Name: 3-[3-[[(1-acetimidoyl-4-piperidyl)methyl-butyl-amino]methyl]-5-methyl-phenyl]benzamidine Formula: C27H39N5 MolecularWeight: 433.63206

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1CCN(CC1)C(=N)C)CC2=CC(=CC(=C2)C)C3=CC(=CC=C3)C(=N)N

Isomeric SMILES

CCCCN(CC1CCN(CC1)C(=N)C)CC2=CC(=CC(=C2)C)C3=CC(=CC=C3)C(=N)N

InChI

InChI=1S/C27H39N5/c1-4-5-11-31(18-22-9-12-32(13-10-22)21(3)28)19-23-14-20(2)15-26(16-23)24-7-6-8-25(17-24)27(29)30/h6-8,14-17,22,28H,4-5,9-13,18-19H2,1-3H3,(H3,29,30)