3-(4-carbamimidoylphenyl)-N-[2-[(4-cyanophenyl)methylamino]-1-cyclohexyl-2-oxidanylidene-ethyl]-2-cyclohexyl-propanamide

Systemtic Name: 3-(4-carbamimidoylphenyl)-N-[2-[(4-cyanophenyl)methylamino]-1-cyclohexyl-2-oxidanylidene-ethyl]-2-cyclohexyl-propanamide Openeye Name: 3-(4-carbamimidoylphenyl)-N-[2-[(4-cyanophenyl)methylamino]-1-cyclohexyl-2-oxo-ethyl]-2-cyclohexyl-propanamide CAS Name: 3-(4-carbamimidoylphenyl)-N-[2-[(4-cyanophenyl)methylamino]-1-cyclohexyl-2-oxoethyl]-2-cyclohexylpropanamide IUPAC Name: 3-(4-carbamimidoylphenyl)-N-[2-[(4-cyanophenyl)methylamino]-1-cyclohexyl-2-oxoethyl]-2-cyclohexylpropanamide Traditional Name: 3-(4-amidinophenyl)-N-[2-[(4-cyanobenzyl)amino]-1-cyclohexyl-2-keto-ethyl]-2-cyclohexyl-propionamide Formula: C32H41N5O2 MolecularWeight: 527.70024

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(CC2=CC=C(C=C2)C(=N)N)C(=O)NC(C3CCCCC3)C(=O)NCC4=CC=C(C=C4)C#N

Isomeric SMILES

C1CCC(CC1)C(CC2=CC=C(C=C2)C(=N)N)C(=O)NC(C3CCCCC3)C(=O)NCC4=CC=C(C=C4)C#N

InChI

InChI=1S/C32H41N5O2/c33-20-23-11-13-24(14-12-23)21-36-32(39)29(26-9-5-2-6-10-26)37-31(38)28(25-7-3-1-4-8-25)19-22-15-17-27(18-16-22)30(34)35/h11-18,25-26,28-29H,1-10,19,21H2,(H3,34,35)(H,36,39)(H,37,38)