4-[5-[(4-chlorophenyl)methyl]-6-methyl-2-phenyl-pyrimidin-4-yl]-N-(3-cyanophenyl)piperazine-1-carboxamide

Systemtic Name: 4-[5-[(4-chlorophenyl)methyl]-6-methyl-2-phenyl-pyrimidin-4-yl]-N-(3-cyanophenyl)piperazine-1-carboxamide Openeye Name: 4-[5-[(4-chlorophenyl)methyl]-6-methyl-2-phenyl-pyrimidin-4-yl]-N-(3-cyanophenyl)piperazine-1-carboxamide CAS Name: 4-[5-[(4-chlorophenyl)methyl]-6-methyl-2-phenyl-4-pyrimidinyl]-N-(3-cyanophenyl)-1-piperazinecarboxamide IUPAC Name: 4-[5-[(4-chlorophenyl)methyl]-6-methyl-2-phenylpyrimidin-4-yl]-N-(3-cyanophenyl)piperazine-1-carboxamide Traditional Name: 4-[5-(4-chlorobenzyl)-6-methyl-2-phenyl-pyrimidin-4-yl]-N-(3-cyanophenyl)piperazine-1-carboxamide Formula: C30H27ClN6O MolecularWeight: 523.02798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCN(CC3)C(=O)NC4=CC=CC(=C4)C#N)CC5=CC=C(C=C5)Cl

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCN(CC3)C(=O)NC4=CC=CC(=C4)C#N)CC5=CC=C(C=C5)Cl

InChI

InChI=1S/C30H27ClN6O/c1-21-27(19-22-10-12-25(31)13-11-22)29(35-28(33-21)24-7-3-2-4-8-24)36-14-16-37(17-15-36)30(38)34-26-9-5-6-23(18-26)20-32/h2-13,18H,14-17,19H2,1H3,(H,34,38)