2-(3-bromophenyl)-3-(4-carbamimidoylphenyl)-N-[1-cyclohexyl-2-oxidanylidene-2-(piperidin-4-ylmethylamino)ethyl]propanamide

Systemtic Name: 2-(3-bromophenyl)-3-(4-carbamimidoylphenyl)-N-[1-cyclohexyl-2-oxidanylidene-2-(piperidin-4-ylmethylamino)ethyl]propanamide Openeye Name: 2-(3-bromophenyl)-3-(4-carbamimidoylphenyl)-N-[1-cyclohexyl-2-oxo-2-(4-piperidylmethylamino)ethyl]propanamide CAS Name: 2-(3-bromophenyl)-3-(4-carbamimidoylphenyl)-N-[1-cyclohexyl-2-oxo-2-(4-piperidinylmethylamino)ethyl]propanamide IUPAC Name: 2-(3-bromophenyl)-3-(4-carbamimidoylphenyl)-N-[1-cyclohexyl-2-oxo-2-(piperidin-4-ylmethylamino)ethyl]propanamide Traditional Name: 3-(4-amidinophenyl)-2-(3-bromophenyl)-N-[1-cyclohexyl-2-keto-2-(4-piperidylmethylamino)ethyl]propionamide Formula: C30H40BrN5O2 MolecularWeight: 582.5749

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C(=O)NCC2CCNCC2)NC(=O)C(CC3=CC=C(C=C3)C(=N)N)C4=CC(=CC=C4)Br

Isomeric SMILES

C1CCC(CC1)C(C(=O)NCC2CCNCC2)NC(=O)C(CC3=CC=C(C=C3)C(=N)N)C4=CC(=CC=C4)Br

InChI

InChI=1S/C30H40BrN5O2/c31-25-8-4-7-24(18-25)26(17-20-9-11-23(12-10-20)28(32)33)29(37)36-27(22-5-2-1-3-6-22)30(38)35-19-21-13-15-34-16-14-21/h4,7-12,18,21-22,26-27,34H,1-3,5-6,13-17,19H2,(H3,32,33)(H,35,38)(H,36,37)