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

Systemtic Name: N-(2-azanyl-2-oxidanylidene-1-phenyl-ethyl)-2-[4-[[bis(2-hydroxyethyl)carbamoyl-phenyl-amino]methyl]phenyl]cyclohexane-1-carboxamide Openeye Name: N-(2-amino-2-oxo-1-phenyl-ethyl)-2-[4-[[N-[bis(2-hydroxyethyl)carbamoyl]anilino]methyl]phenyl]cyclohexanecarboxamide CAS Name: N-(2-amino-2-oxo-1-phenylethyl)-2-[4-[(N-[[bis(2-hydroxyethyl)amino]-oxomethyl]anilino)methyl]phenyl]-1-cyclohexanecarboxamide IUPAC Name: N-(2-amino-2-oxo-1-phenylethyl)-2-[4-[[N-[bis(2-hydroxyethyl)carbamoyl]anilino]methyl]phenyl]cyclohexane-1-carboxamide Traditional Name: N-(2-amino-2-keto-1-phenyl-ethyl)-2-[4-[[N-[bis(2-hydroxyethyl)carbamoyl]anilino]methyl]phenyl]cyclohexanecarboxamide Formula: C33H40N4O5 MolecularWeight: 572.6945

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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=CC=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=CC=CC=C4)C(=O)N

InChI

InChI=1S/C33H40N4O5/c34-31(40)30(26-9-3-1-4-10-26)35-32(41)29-14-8-7-13-28(29)25-17-15-24(16-18-25)23-37(27-11-5-2-6-12-27)33(42)36(19-21-38)20-22-39/h1-6,9-12,15-18,28-30,38-39H,7-8,13-14,19-23H2,(H2,34,40)(H,35,41)