N-[[5-carbamimidoyl-1-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]benzimidazol-2-yl]methyl]-4-methyl-N-(4-piperidin-4-yloxyphenyl)benzamide

Systemtic Name: N-[[5-carbamimidoyl-1-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]benzimidazol-2-yl]methyl]-4-methyl-N-(4-piperidin-4-yloxyphenyl)benzamide Openeye Name: N-[[5-carbamimidoyl-1-[2-(cyclohexylamino)-2-oxo-ethyl]benzimidazol-2-yl]methyl]-4-methyl-N-[4-(4-piperidyloxy)phenyl]benzamide CAS Name: N-[[5-carbamimidoyl-1-[2-(cyclohexylamino)-2-oxoethyl]-2-benzimidazolyl]methyl]-4-methyl-N-[4-(4-piperidinyloxy)phenyl]benzamide IUPAC Name: N-[[5-carbamimidoyl-1-[2-(cyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-methyl-N-(4-piperidin-4-yloxyphenyl)benzamide Traditional Name: N-[[5-amidino-1-[2-(cyclohexylamino)-2-keto-ethyl]benzimidazol-2-yl]methyl]-4-methyl-N-[4-(4-piperidyloxy)phenyl]benzamide Formula: C36H43N7O3 MolecularWeight: 621.77172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N(CC2=NC3=C(N2CC(=O)NC4CCCCC4)C=CC(=C3)C(=N)N)C5=CC=C(C=C5)OC6CCNCC6

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N(CC2=NC3=C(N2CC(=O)NC4CCCCC4)C=CC(=C3)C(=N)N)C5=CC=C(C=C5)OC6CCNCC6

InChI

InChI=1S/C36H43N7O3/c1-24-7-9-25(10-8-24)36(45)42(28-12-14-29(15-13-28)46-30-17-19-39-20-18-30)22-33-41-31-21-26(35(37)38)11-16-32(31)43(33)23-34(44)40-27-5-3-2-4-6-27/h7-16,21,27,30,39H,2-6,17-20,22-23H2,1H3,(H3,37,38)(H,40,44)