N-(2-morpholin-4-ylethyl)-5-(nonanoylamino)-2-[4-(phenylmethyl)piperazin-1-yl]benzamide

Systemtic Name: N-(2-morpholin-4-ylethyl)-5-(nonanoylamino)-2-[4-(phenylmethyl)piperazin-1-yl]benzamide Openeye Name: 2-(4-benzylpiperazin-1-yl)-N-(2-morpholinoethyl)-5-(nonanoylamino)benzamide CAS Name: N-[2-(4-morpholinyl)ethyl]-5-(1-oxononylamino)-2-[4-(phenylmethyl)-1-piperazinyl]benzamide IUPAC Name: 2-(4-benzylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)-5-(nonanoylamino)benzamide Traditional Name: 2-(4-benzylpiperazino)-N-(2-morpholinoethyl)-5-(pelargonylamino)benzamide Formula: C33H49N5O3 MolecularWeight: 563.77386

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)NC1=CC(=C(C=C1)N2CCN(CC2)CC3=CC=CC=C3)C(=O)NCCN4CCOCC4

Isomeric SMILES

CCCCCCCCC(=O)NC1=CC(=C(C=C1)N2CCN(CC2)CC3=CC=CC=C3)C(=O)NCCN4CCOCC4

InChI

InChI=1S/C33H49N5O3/c1-2-3-4-5-6-10-13-32(39)35-29-14-15-31(30(26-29)33(40)34-16-17-36-22-24-41-25-23-36)38-20-18-37(19-21-38)27-28-11-8-7-9-12-28/h7-9,11-12,14-15,26H,2-6,10,13,16-25,27H2,1H3,(H,34,40)(H,35,39)