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

Systemtic Name: (phenylmethyl) 2-[4-(2-phenylquinolin-4-yl)carbonyl-1,4-diazepan-1-yl]ethanoate Openeye Name: benzyl 2-[4-(2-phenylquinoline-4-carbonyl)-1,4-diazepan-1-yl]acetate CAS Name: 2-[4-[oxo-(2-phenyl-4-quinolinyl)methyl]-1,4-diazepan-1-yl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[4-(2-phenylquinoline-4-carbonyl)-1,4-diazepan-1-yl]acetate Traditional Name: 2-[4-(2-phenylquinoline-4-carbonyl)-1,4-diazepan-1-yl]acetic acid benzyl ester Formula: C30H29N3O3 MolecularWeight: 479.56956

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4)CC(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4)CC(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C30H29N3O3/c34-29(36-22-23-10-3-1-4-11-23)21-32-16-9-17-33(19-18-32)30(35)26-20-28(24-12-5-2-6-13-24)31-27-15-8-7-14-25(26)27/h1-8,10-15,20H,9,16-19,21-22H2