2-(aminomethyl)-6-ethoxy-5-(3-morpholin-4-ylpropyl)-4-oxidanylidene-1-(phenylmethyl)quinoline-3-carboxamide

Systemtic Name: 2-(aminomethyl)-6-ethoxy-5-(3-morpholin-4-ylpropyl)-4-oxidanylidene-1-(phenylmethyl)quinoline-3-carboxamide Openeye Name: 2-(aminomethyl)-1-benzyl-6-ethoxy-5-(3-morpholinopropyl)-4-oxo-quinoline-3-carboxamide CAS Name: 2-(aminomethyl)-6-ethoxy-5-[3-(4-morpholinyl)propyl]-4-oxo-1-(phenylmethyl)-3-quinolinecarboxamide IUPAC Name: 2-(aminomethyl)-1-benzyl-6-ethoxy-5-(3-morpholin-4-ylpropyl)-4-oxoquinoline-3-carboxamide Traditional Name: 2-(aminomethyl)-1-benzyl-6-ethoxy-4-keto-5-(3-morpholinopropyl)quinoline-3-carboxamide Formula: C27H34N4O4 MolecularWeight: 478.58326

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C2=C(C=C1)N(C(=C(C2=O)C(=O)N)CN)CC3=CC=CC=C3)CCCN4CCOCC4

Isomeric SMILES

CCOC1=C(C2=C(C=C1)N(C(=C(C2=O)C(=O)N)CN)CC3=CC=CC=C3)CCCN4CCOCC4

InChI

InChI=1S/C27H34N4O4/c1-2-35-23-11-10-21-24(20(23)9-6-12-30-13-15-34-16-14-30)26(32)25(27(29)33)22(17-28)31(21)18-19-7-4-3-5-8-19/h3-5,7-8,10-11H,2,6,9,12-18,28H2,1H3,(H2,29,33)