2-azanyl-N-[6-azanyl-1-oxidanylidene-1-(4-pyridin-4-ylpiperazin-1-yl)hexan-2-yl]-N-(phenethylcarbamoyl)-3-phenyl-propanamide

Systemtic Name: 2-azanyl-N-[6-azanyl-1-oxidanylidene-1-(4-pyridin-4-ylpiperazin-1-yl)hexan-2-yl]-N-(phenethylcarbamoyl)-3-phenyl-propanamide Openeye Name: 2-amino-N-[5-amino-1-[4-(4-pyridyl)piperazine-1-carbonyl]pentyl]-N-(phenethylcarbamoyl)-3-phenyl-propanamide CAS Name: 2-amino-N-[6-amino-1-oxo-1-(4-pyridin-4-yl-1-piperazinyl)hexan-2-yl]-N-[oxo-(phenethylamino)methyl]-3-phenylpropanamide IUPAC Name: 2-amino-N-[6-amino-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)hexan-2-yl]-N-(phenethylcarbamoyl)-3-phenylpropanamide Traditional Name: 2-amino-N-[5-amino-1-[4-(4-pyridyl)piperazine-1-carbonyl]pentyl]-N-(phenethylcarbamoyl)-3-phenyl-propionamide Formula: C33H43N7O3 MolecularWeight: 585.73962

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=NC=C2)C(=O)C(CCCCN)N(C(=O)C(CC3=CC=CC=C3)N)C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC=NC=C2)C(=O)C(CCCCN)N(C(=O)C(CC3=CC=CC=C3)N)C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C33H43N7O3/c34-17-8-7-13-30(32(42)39-23-21-38(22-24-39)28-15-18-36-19-16-28)40(31(41)29(35)25-27-11-5-2-6-12-27)33(43)37-20-14-26-9-3-1-4-10-26/h1-6,9-12,15-16,18-19,29-30H,7-8,13-14,17,20-25,34-35H2,(H,37,43)