5-[4-(4-chlorophenyl)piperazin-1-yl]-6-ethoxy-2-methyl-4-oxidanylidene-1-(phenylmethyl)quinoline-3-carboxamide

Systemtic Name: 5-[4-(4-chlorophenyl)piperazin-1-yl]-6-ethoxy-2-methyl-4-oxidanylidene-1-(phenylmethyl)quinoline-3-carboxamide Openeye Name: 1-benzyl-5-[4-(4-chlorophenyl)piperazin-1-yl]-6-ethoxy-2-methyl-4-oxo-quinoline-3-carboxamide CAS Name: 5-[4-(4-chlorophenyl)-1-piperazinyl]-6-ethoxy-2-methyl-4-oxo-1-(phenylmethyl)-3-quinolinecarboxamide IUPAC Name: 1-benzyl-5-[4-(4-chlorophenyl)piperazin-1-yl]-6-ethoxy-2-methyl-4-oxoquinoline-3-carboxamide Traditional Name: 1-benzyl-5-[4-(4-chlorophenyl)piperazino]-6-ethoxy-4-keto-2-methyl-quinoline-3-carboxamide Formula: C30H31ClN4O3 MolecularWeight: 531.04514

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C2=C(C=C1)N(C(=C(C2=O)C(=O)N)C)CC3=CC=CC=C3)N4CCN(CC4)C5=CC=C(C=C5)Cl

Isomeric SMILES

CCOC1=C(C2=C(C=C1)N(C(=C(C2=O)C(=O)N)C)CC3=CC=CC=C3)N4CCN(CC4)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C30H31ClN4O3/c1-3-38-25-14-13-24-27(28(25)34-17-15-33(16-18-34)23-11-9-22(31)10-12-23)29(36)26(30(32)37)20(2)35(24)19-21-7-5-4-6-8-21/h4-14H,3,15-19H2,1-2H3,(H2,32,37)