N-(4-ethoxyphenyl)-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide

Systemtic Name: N-(4-ethoxyphenyl)-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide Openeye Name: N-(4-ethoxyphenyl)-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide CAS Name: N-(4-ethoxyphenyl)-4-[6-(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperazinecarboxamide IUPAC Name: N-(4-ethoxyphenyl)-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide Traditional Name: N-p-phenetyl-4-(6-pyrrolidinopyrimidin-4-yl)piperazine-1-carboxamide Formula: C21H28N6O2 MolecularWeight: 396.48602

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=NC=NC(=C3)N4CCCC4

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=NC=NC(=C3)N4CCCC4

InChI

InChI=1S/C21H28N6O2/c1-2-29-18-7-5-17(6-8-18)24-21(28)27-13-11-26(12-14-27)20-15-19(22-16-23-20)25-9-3-4-10-25/h5-8,15-16H,2-4,9-14H2,1H3,(H,24,28)