phenyl-[9-(phenylcarbonyl)-1,5,9,13-tetrazacyclohexadec-1-yl]methanone

Systemtic Name: phenyl-[9-(phenylcarbonyl)-1,5,9,13-tetrazacyclohexadec-1-yl]methanone Openeye Name: (9-benzoyl-1,5,9,13-tetrazacyclohexadec-1-yl)-phenyl-methanone CAS Name: (9-benzoyl-1,5,9,13-tetrazacyclohexadec-1-yl)-phenylmethanone IUPAC Name: (9-benzoyl-1,5,9,13-tetrazacyclohexadec-1-yl)-phenylmethanone Traditional Name: (9-benzoyl-1,5,9,13-tetrazacyclohexadec-1-yl)-phenyl-methanone Formula: C26H36N4O2 MolecularWeight: 436.58964

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCCN(CCCNCCCN(C1)C(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3

Isomeric SMILES

C1CNCCCN(CCCNCCCN(C1)C(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C26H36N4O2/c31-25(23-11-3-1-4-12-23)29-19-7-15-27-17-9-21-30(22-10-18-28-16-8-20-29)26(32)24-13-5-2-6-14-24/h1-6,11-14,27-28H,7-10,15-22H2