3-pyridin-2-yl-N-[N'-[3-[1-(triphenylmethyl)imidazol-4-yl]propyl]carbamimidoyl]butanamide

Systemtic Name: 3-pyridin-2-yl-N-[N'-[3-[1-(triphenylmethyl)imidazol-4-yl]propyl]carbamimidoyl]butanamide Openeye Name: 3-(2-pyridyl)-N-[N'-[3-(1-tritylimidazol-4-yl)propyl]carbamimidoyl]butanamide CAS Name: N-[amino-[3-[1-(triphenylmethyl)-4-imidazolyl]propylimino]methyl]-3-(2-pyridinyl)butanamide IUPAC Name: 3-pyridin-2-yl-N-[N'-[3-(1-tritylimidazol-4-yl)propyl]carbamimidoyl]butanamide Traditional Name: 3-(2-pyridyl)-N-[N'-[3-(1-tritylimidazol-4-yl)propyl]amidino]butyramide Formula: C35H36N6O MolecularWeight: 556.69994

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NC(=NCCCC1=CN(C=N1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)N)C5=CC=CC=N5

Isomeric SMILES

CC(CC(=O)NC(=NCCCC1=CN(C=N1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)N)C5=CC=CC=N5

InChI

InChI=1S/C35H36N6O/c1-27(32-21-11-12-22-37-32)24-33(42)40-34(36)38-23-13-20-31-25-41(26-39-31)35(28-14-5-2-6-15-28,29-16-7-3-8-17-29)30-18-9-4-10-19-30/h2-12,14-19,21-22,25-27H,13,20,23-24H2,1H3,(H3,36,38,40,42)