1-[4,7-bis(7-chloranylquinolin-4-yl)-1,4,7-triazonan-1-yl]-4-phenylmethoxy-butan-1-one

Systemtic Name: 1-[4,7-bis(7-chloranylquinolin-4-yl)-1,4,7-triazonan-1-yl]-4-phenylmethoxy-butan-1-one Openeye Name: 4-benzyloxy-1-[4,7-bis(7-chloro-4-quinolyl)-1,4,7-triazonan-1-yl]butan-1-one CAS Name: 1-[4,7-bis(7-chloro-4-quinolinyl)-1,4,7-triazonan-1-yl]-4-phenylmethoxy-1-butanone IUPAC Name: 1-[4,7-bis(7-chloroquinolin-4-yl)-1,4,7-triazonan-1-yl]-4-phenylmethoxybutan-1-one Traditional Name: 4-benzoxy-1-[4,7-bis(7-chloro-4-quinolyl)-1,4,7-triazonan-1-yl]butan-1-one Formula: C35H35Cl2N5O2 MolecularWeight: 628.5907

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(CCN1C2=C3C=CC(=CC3=NC=C2)Cl)C(=O)CCCOCC4=CC=CC=C4)C5=C6C=CC(=CC6=NC=C5)Cl

Isomeric SMILES

C1CN(CCN(CCN1C2=C3C=CC(=CC3=NC=C2)Cl)C(=O)CCCOCC4=CC=CC=C4)C5=C6C=CC(=CC6=NC=C5)Cl

InChI

InChI=1S/C35H35Cl2N5O2/c36-27-8-10-29-31(23-27)38-14-12-33(29)40-16-17-41(34-13-15-39-32-24-28(37)9-11-30(32)34)19-21-42(20-18-40)35(43)7-4-22-44-25-26-5-2-1-3-6-26/h1-3,5-6,8-15,23-24H,4,7,16-22,25H2