4-(3-carbamimidoylphenoxy)-N-(4-carbamimidoylphenyl)-1-cyclohexyl-pyrrolidine-2-carboxamide

Systemtic Name: 4-(3-carbamimidoylphenoxy)-N-(4-carbamimidoylphenyl)-1-cyclohexyl-pyrrolidine-2-carboxamide Openeye Name: 4-(3-carbamimidoylphenoxy)-N-(4-carbamimidoylphenyl)-1-cyclohexyl-pyrrolidine-2-carboxamide CAS Name: 4-(3-carbamimidoylphenoxy)-N-(4-carbamimidoylphenyl)-1-cyclohexyl-2-pyrrolidinecarboxamide IUPAC Name: 4-(3-carbamimidoylphenoxy)-N-(4-carbamimidoylphenyl)-1-cyclohexylpyrrolidine-2-carboxamide Traditional Name: 4-(3-amidinophenoxy)-N-(4-amidinophenyl)-1-cyclohexyl-pyrrolidine-2-carboxamide Formula: C25H32N6O2 MolecularWeight: 448.56058

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CC(CC2C(=O)NC3=CC=C(C=C3)C(=N)N)OC4=CC=CC(=C4)C(=N)N

Isomeric SMILES

C1CCC(CC1)N2CC(CC2C(=O)NC3=CC=C(C=C3)C(=N)N)OC4=CC=CC(=C4)C(=N)N

InChI

InChI=1S/C25H32N6O2/c26-23(27)16-9-11-18(12-10-16)30-25(32)22-14-21(15-31(22)19-6-2-1-3-7-19)33-20-8-4-5-17(13-20)24(28)29/h4-5,8-13,19,21-22H,1-3,6-7,14-15H2,(H3,26,27)(H3,28,29)(H,30,32)