N-(2-azanyl-2-oxidanylidene-1-pyridin-3-yl-ethyl)-2-[4-[[bis(2-hydroxyethyl)carbamoyl-phenyl-amino]methyl]phenyl]cyclohexane-1-carboxamide

Systemtic Name: N-(2-azanyl-2-oxidanylidene-1-pyridin-3-yl-ethyl)-2-[4-[[bis(2-hydroxyethyl)carbamoyl-phenyl-amino]methyl]phenyl]cyclohexane-1-carboxamide Openeye Name: N-[2-amino-2-oxo-1-(3-pyridyl)ethyl]-2-[4-[[N-[bis(2-hydroxyethyl)carbamoyl]anilino]methyl]phenyl]cyclohexanecarboxamide CAS Name: N-[2-amino-2-oxo-1-(3-pyridinyl)ethyl]-2-[4-[(N-[[bis(2-hydroxyethyl)amino]-oxomethyl]anilino)methyl]phenyl]-1-cyclohexanecarboxamide IUPAC Name: N-(2-amino-2-oxo-1-pyridin-3-ylethyl)-2-[4-[[N-[bis(2-hydroxyethyl)carbamoyl]anilino]methyl]phenyl]cyclohexane-1-carboxamide Traditional Name: N-[2-amino-2-keto-1-(3-pyridyl)ethyl]-2-[4-[[N-[bis(2-hydroxyethyl)carbamoyl]anilino]methyl]phenyl]cyclohexanecarboxamide Formula: C32H39N5O5 MolecularWeight: 573.68256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C2=CC=C(C=C2)CN(C3=CC=CC=C3)C(=O)N(CCO)CCO)C(=O)NC(C4=CN=CC=C4)C(=O)N

Isomeric SMILES

C1CCC(C(C1)C2=CC=C(C=C2)CN(C3=CC=CC=C3)C(=O)N(CCO)CCO)C(=O)NC(C4=CN=CC=C4)C(=O)N

InChI

InChI=1S/C32H39N5O5/c33-30(40)29(25-7-6-16-34-21-25)35-31(41)28-11-5-4-10-27(28)24-14-12-23(13-15-24)22-37(26-8-2-1-3-9-26)32(42)36(17-19-38)18-20-39/h1-3,6-9,12-16,21,27-29,38-39H,4-5,10-11,17-20,22H2,(H2,33,40)(H,35,41)