N-[(4-chlorophenyl)methyl]-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-4-[6-(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperazinecarboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide Traditional Name: N-(4-chlorobenzyl)-4-(6-pyrrolidinopyrimidin-4-yl)piperazine-1-carboxamide Formula: C20H25ClN6O MolecularWeight: 400.9051

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC(=NC=N2)N3CCN(CC3)C(=O)NCC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCN(C1)C2=CC(=NC=N2)N3CCN(CC3)C(=O)NCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H25ClN6O/c21-17-5-3-16(4-6-17)14-22-20(28)27-11-9-26(10-12-27)19-13-18(23-15-24-19)25-7-1-2-8-25/h3-6,13,15H,1-2,7-12,14H2,(H,22,28)