7-(phenylmethyl)-16-(4-piperazin-1-ylphenyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane

Systemtic Name: 7-(phenylmethyl)-16-(4-piperazin-1-ylphenyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane Openeye Name: 7-benzyl-16-(4-piperazin-1-ylphenyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane CAS Name: 7-(phenylmethyl)-16-[4-(1-piperazinyl)phenyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane IUPAC Name: 7-benzyl-16-(4-piperazin-1-ylphenyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane Traditional Name: 7-benzyl-16-(4-piperazinophenyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane Formula: C29H44N4O4 MolecularWeight: 512.68406

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=CC=C(C=C2)N3CCOCCOCCN(CCOCCOCC3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1)C2=CC=C(C=C2)N3CCOCCOCCN(CCOCCOCC3)CC4=CC=CC=C4

InChI

InChI=1S/C29H44N4O4/c1-2-4-27(5-3-1)26-31-14-18-34-22-24-36-20-16-33(17-21-37-25-23-35-19-15-31)29-8-6-28(7-9-29)32-12-10-30-11-13-32/h1-9,30H,10-26H2