(2-methylquinolin-6-yl)-[7-(2-methylquinolin-6-yl)carbonyl-1,4,7,10-tetrazacyclododec-1-yl]methanone

Systemtic Name: (2-methylquinolin-6-yl)-[7-(2-methylquinolin-6-yl)carbonyl-1,4,7,10-tetrazacyclododec-1-yl]methanone Openeye Name: [7-(2-methylquinoline-6-carbonyl)-1,4,7,10-tetrazacyclododec-1-yl]-(2-methyl-6-quinolyl)methanone CAS Name: (2-methyl-6-quinolinyl)-[7-[(2-methyl-6-quinolinyl)-oxomethyl]-1,4,7,10-tetrazacyclododec-1-yl]methanone IUPAC Name: [7-(2-methylquinoline-6-carbonyl)-1,4,7,10-tetrazacyclododec-1-yl]-(2-methylquinolin-6-yl)methanone Traditional Name: [7-(2-methylquinoline-6-carbonyl)-1,4,7,10-tetrazacyclododec-1-yl]-(2-methyl-6-quinolyl)methanone Formula: C30H34N6O2 MolecularWeight: 510.62996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C1)C=C(C=C2)C(=O)N3CCNCCN(CCNCC3)C(=O)C4=CC5=C(C=C4)N=C(C=C5)C

Isomeric SMILES

CC1=NC2=C(C=C1)C=C(C=C2)C(=O)N3CCNCCN(CCNCC3)C(=O)C4=CC5=C(C=C4)N=C(C=C5)C

InChI

InChI=1S/C30H34N6O2/c1-21-3-5-23-19-25(7-9-27(23)33-21)29(37)35-15-11-31-13-17-36(18-14-32-12-16-35)30(38)26-8-10-28-24(20-26)6-4-22(2)34-28/h3-10,19-20,31-32H,11-18H2,1-2H3