N-[3-(4-aminophenyl)-2-azanyl-propanoyl]-6-[2-(4-tert-butylphenyl)-5-pyridin-2-yl-pyrazol-3-yl]hexanamide

Systemtic Name: N-[3-(4-aminophenyl)-2-azanyl-propanoyl]-6-[2-(4-tert-butylphenyl)-5-pyridin-2-yl-pyrazol-3-yl]hexanamide Openeye Name: N-[2-amino-3-(4-aminophenyl)propanoyl]-6-[2-(4-tert-butylphenyl)-5-(2-pyridyl)pyrazol-3-yl]hexanamide CAS Name: N-[2-amino-3-(4-aminophenyl)-1-oxopropyl]-6-[2-(4-tert-butylphenyl)-5-(2-pyridinyl)-3-pyrazolyl]hexanamide IUPAC Name: N-[2-amino-3-(4-aminophenyl)propanoyl]-6-[2-(4-tert-butylphenyl)-5-pyridin-2-ylpyrazol-3-yl]hexanamide Traditional Name: N-[2-amino-3-(4-aminophenyl)propanoyl]-6-[2-(4-tert-butylphenyl)-5-(2-pyridyl)pyrazol-3-yl]hexanamide Formula: C33H40N6O2 MolecularWeight: 552.7097

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=CC=N3)CCCCCC(=O)NC(=O)C(CC4=CC=C(C=C4)N)N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=CC=N3)CCCCCC(=O)NC(=O)C(CC4=CC=C(C=C4)N)N

InChI

InChI=1S/C33H40N6O2/c1-33(2,3)24-14-18-26(19-15-24)39-27(22-30(38-39)29-10-7-8-20-36-29)9-5-4-6-11-31(40)37-32(41)28(35)21-23-12-16-25(34)17-13-23/h7-8,10,12-20,22,28H,4-6,9,11,21,34-35H2,1-3H3,(H,37,40,41)