N-[[3-(3-carbamimidoylphenyl)-5-methyl-phenyl]methyl]-1-ethanimidoyl-piperidine-4-carboxamide

Systemtic Name: N-[[3-(3-carbamimidoylphenyl)-5-methyl-phenyl]methyl]-1-ethanimidoyl-piperidine-4-carboxamide Openeye Name: N-[[3-(3-carbamimidoylphenyl)-5-methyl-phenyl]methyl]-1-ethanimidoyl-piperidine-4-carboxamide CAS Name: N-[[3-(3-carbamimidoylphenyl)-5-methylphenyl]methyl]-1-(1-iminoethyl)-4-piperidinecarboxamide IUPAC Name: N-[[3-(3-carbamimidoylphenyl)-5-methylphenyl]methyl]-1-ethanimidoylpiperidine-4-carboxamide Traditional Name: 1-acetimidoyl-N-[3-(3-amidinophenyl)-5-methyl-benzyl]isonipecotamide Formula: C23H29N5O MolecularWeight: 391.50926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=CC(=CC=C2)C(=N)N)CNC(=O)C3CCN(CC3)C(=N)C

Isomeric SMILES

CC1=CC(=CC(=C1)C2=CC(=CC=C2)C(=N)N)CNC(=O)C3CCN(CC3)C(=N)C

InChI

InChI=1S/C23H29N5O/c1-15-10-17(12-21(11-15)19-4-3-5-20(13-19)22(25)26)14-27-23(29)18-6-8-28(9-7-18)16(2)24/h3-5,10-13,18,24H,6-9,14H2,1-2H3,(H3,25,26)(H,27,29)