1-(8-chloranylanthracen-1-yl)-4,8,11-trimethyl-1,4,8,11-tetrazacyclotetradecane

Systemtic Name: 1-(8-chloranylanthracen-1-yl)-4,8,11-trimethyl-1,4,8,11-tetrazacyclotetradecane Openeye Name: 1-(8-chloro-1-anthryl)-4,8,11-trimethyl-1,4,8,11-tetrazacyclotetradecane CAS Name: 1-(8-chloro-1-anthracenyl)-4,8,11-trimethyl-1,4,8,11-tetrazacyclotetradecane IUPAC Name: 1-(8-chloroanthracen-1-yl)-4,8,11-trimethyl-1,4,8,11-tetrazacyclotetradecane Traditional Name: 1-(8-chloro-1-anthryl)-4,8,11-trimethyl-1,4,8,11-tetrazacyclotetradecane Formula: C27H37ClN4 MolecularWeight: 453.06248

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CCN(CCCN(CC1)C)C2=CC=CC3=CC4=C(C=C32)C(=CC=C4)Cl)C

Isomeric SMILES

CN1CCCN(CCN(CCCN(CC1)C)C2=CC=CC3=CC4=C(C=C32)C(=CC=C4)Cl)C

InChI

InChI=1S/C27H37ClN4/c1-29-12-6-13-31(3)18-19-32(15-7-14-30(2)17-16-29)27-11-5-9-23-20-22-8-4-10-26(28)24(22)21-25(23)27/h4-5,8-11,20-21H,6-7,12-19H2,1-3H3