N-[2-[4-(3-azanyl-4-butanoyl-2-methoxy-phenyl)piperazin-1-yl]ethyl]-N-pyridin-2-yl-cyclohexanecarboxamide

Systemtic Name: N-[2-[4-(3-azanyl-4-butanoyl-2-methoxy-phenyl)piperazin-1-yl]ethyl]-N-pyridin-2-yl-cyclohexanecarboxamide Openeye Name: N-[2-[4-(3-amino-4-butanoyl-2-methoxy-phenyl)piperazin-1-yl]ethyl]-N-(2-pyridyl)cyclohexanecarboxamide CAS Name: N-[2-[4-[3-amino-2-methoxy-4-(1-oxobutyl)phenyl]-1-piperazinyl]ethyl]-N-(2-pyridinyl)cyclohexanecarboxamide IUPAC Name: N-[2-[4-(3-amino-4-butanoyl-2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexanecarboxamide Traditional Name: N-[2-[4-(3-amino-4-butyryl-2-methoxy-phenyl)piperazino]ethyl]-N-(2-pyridyl)cyclohexanecarboxamide Formula: C29H41N5O3 MolecularWeight: 507.66754

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(C(=C(C=C1)N2CCN(CC2)CCN(C3=CC=CC=N3)C(=O)C4CCCCC4)OC)N

Isomeric SMILES

CCCC(=O)C1=C(C(=C(C=C1)N2CCN(CC2)CCN(C3=CC=CC=N3)C(=O)C4CCCCC4)OC)N

InChI

InChI=1S/C29H41N5O3/c1-3-9-25(35)23-13-14-24(28(37-2)27(23)30)33-19-16-32(17-20-33)18-21-34(26-12-7-8-15-31-26)29(36)22-10-5-4-6-11-22/h7-8,12-15,22H,3-6,9-11,16-21,30H2,1-2H3