3-[6-methyl-5-(4-methylpiperazin-1-yl)carbonyl-2-phenyl-1,4-dihydropyrimidin-4-yl]benzenecarbonitrile

Systemtic Name: 3-[6-methyl-5-(4-methylpiperazin-1-yl)carbonyl-2-phenyl-1,4-dihydropyrimidin-4-yl]benzenecarbonitrile Openeye Name: 3-[6-methyl-5-(4-methylpiperazine-1-carbonyl)-2-phenyl-1,4-dihydropyrimidin-4-yl]benzonitrile CAS Name: 3-[6-methyl-5-[(4-methyl-1-piperazinyl)-oxomethyl]-2-phenyl-1,4-dihydropyrimidin-4-yl]benzonitrile IUPAC Name: 3-[6-methyl-5-(4-methylpiperazine-1-carbonyl)-2-phenyl-1,4-dihydropyrimidin-4-yl]benzonitrile Traditional Name: 3-[6-methyl-5-(4-methylpiperazine-1-carbonyl)-2-phenyl-1,4-dihydropyrimidin-4-yl]benzonitrile Formula: C24H25N5O MolecularWeight: 399.4882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N=C(N1)C2=CC=CC=C2)C3=CC=CC(=C3)C#N)C(=O)N4CCN(CC4)C

Isomeric SMILES

CC1=C(C(N=C(N1)C2=CC=CC=C2)C3=CC=CC(=C3)C#N)C(=O)N4CCN(CC4)C

InChI

InChI=1S/C24H25N5O/c1-17-21(24(30)29-13-11-28(2)12-14-29)22(20-10-6-7-18(15-20)16-25)27-23(26-17)19-8-4-3-5-9-19/h3-10,15,22H,11-14H2,1-2H3,(H,26,27)