2-[[3-[(4-carbamimidoylnaphthalen-1-yl)methyl]-2-methyl-benzimidazol-5-yl]-(1-ethanimidoylpiperidin-4-yl)amino]ethanamide

Systemtic Name: 2-[[3-[(4-carbamimidoylnaphthalen-1-yl)methyl]-2-methyl-benzimidazol-5-yl]-(1-ethanimidoylpiperidin-4-yl)amino]ethanamide Openeye Name: 2-[[3-[(4-carbamimidoyl-1-naphthyl)methyl]-2-methyl-benzimidazol-5-yl]-(1-ethanimidoyl-4-piperidyl)amino]acetamide CAS Name: 2-[[3-[(4-carbamimidoyl-1-naphthalenyl)methyl]-2-methyl-5-benzimidazolyl]-[1-(1-iminoethyl)-4-piperidinyl]amino]acetamide IUPAC Name: 2-[[3-[(4-carbamimidoylnaphthalen-1-yl)methyl]-2-methylbenzimidazol-5-yl]-(1-ethanimidoylpiperidin-4-yl)amino]acetamide Traditional Name: 2-[(1-acetimidoyl-4-piperidyl)-[3-[(4-amidino-1-naphthyl)methyl]-2-methyl-benzimidazol-5-yl]amino]acetamide Formula: C29H34N8O MolecularWeight: 510.63326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1CC3=CC=C(C4=CC=CC=C34)C(=N)N)C=C(C=C2)N(CC(=O)N)C5CCN(CC5)C(=N)C

Isomeric SMILES

CC1=NC2=C(N1CC3=CC=C(C4=CC=CC=C34)C(=N)N)C=C(C=C2)N(CC(=O)N)C5CCN(CC5)C(=N)C

InChI

InChI=1S/C29H34N8O/c1-18(30)35-13-11-21(12-14-35)37(17-28(31)38)22-8-10-26-27(15-22)36(19(2)34-26)16-20-7-9-25(29(32)33)24-6-4-3-5-23(20)24/h3-10,15,21,30H,11-14,16-17H2,1-2H3,(H2,31,38)(H3,32,33)