6-methyl-2-[4-(3,4,5-trimethoxyphenyl)carbonylpiperazin-1-yl]quinoline-3-carbonitrile

Systemtic Name: 6-methyl-2-[4-(3,4,5-trimethoxyphenyl)carbonylpiperazin-1-yl]quinoline-3-carbonitrile Openeye Name: 6-methyl-2-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]quinoline-3-carbonitrile CAS Name: 6-methyl-2-[4-[oxo-(3,4,5-trimethoxyphenyl)methyl]-1-piperazinyl]-3-quinolinecarbonitrile IUPAC Name: 6-methyl-2-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]quinoline-3-carbonitrile Traditional Name: 6-methyl-2-[4-(3,4,5-trimethoxybenzoyl)piperazino]quinoline-3-carbonitrile Formula: C25H26N4O4 MolecularWeight: 446.49834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C(=C2)C#N)N3CCN(CC3)C(=O)C4=CC(=C(C(=C4)OC)OC)OC

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C(=C2)C#N)N3CCN(CC3)C(=O)C4=CC(=C(C(=C4)OC)OC)OC

InChI

InChI=1S/C25H26N4O4/c1-16-5-6-20-17(11-16)12-19(15-26)24(27-20)28-7-9-29(10-8-28)25(30)18-13-21(31-2)23(33-4)22(14-18)32-3/h5-6,11-14H,7-10H2,1-4H3