(phenylmethyl) 2-[4-(8-oxidanylquinolin-2-yl)carbonyl-1,4-diazepan-1-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[4-(8-oxidanylquinolin-2-yl)carbonyl-1,4-diazepan-1-yl]ethanoate Openeye Name: benzyl 2-[4-(8-hydroxyquinoline-2-carbonyl)-1,4-diazepan-1-yl]acetate CAS Name: 2-[4-[(8-hydroxy-2-quinolinyl)-oxomethyl]-1,4-diazepan-1-yl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[4-(8-hydroxyquinoline-2-carbonyl)-1,4-diazepan-1-yl]acetate Traditional Name: 2-[4-(8-hydroxyquinoline-2-carbonyl)-1,4-diazepan-1-yl]acetic acid benzyl ester Formula: C24H25N3O4 MolecularWeight: 419.473

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=NC3=C(C=CC=C3O)C=C2)CC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=NC3=C(C=CC=C3O)C=C2)CC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C24H25N3O4/c28-21-9-4-8-19-10-11-20(25-23(19)21)24(30)27-13-5-12-26(14-15-27)16-22(29)31-17-18-6-2-1-3-7-18/h1-4,6-11,28H,5,12-17H2