2-[3-[4-[(5-chloranyl-2-methoxy-phenoxy)methyl]piperidin-1-yl]propylamino]pyrimidine-4-carboxamide

Systemtic Name: 2-[3-[4-[(5-chloranyl-2-methoxy-phenoxy)methyl]piperidin-1-yl]propylamino]pyrimidine-4-carboxamide Openeye Name: 2-[3-[4-[(5-chloro-2-methoxy-phenoxy)methyl]-1-piperidyl]propylamino]pyrimidine-4-carboxamide CAS Name: 2-[3-[4-[(5-chloro-2-methoxyphenoxy)methyl]-1-piperidinyl]propylamino]-4-pyrimidinecarboxamide IUPAC Name: 2-[3-[4-[(5-chloro-2-methoxyphenoxy)methyl]piperidin-1-yl]propylamino]pyrimidine-4-carboxamide Traditional Name: 2-[3-[4-[(5-chloro-2-methoxy-phenoxy)methyl]piperidino]propylamino]pyrimidine-4-carboxamide Formula: C21H28ClN5O3 MolecularWeight: 433.93172

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)OCC2CCN(CC2)CCCNC3=NC=CC(=N3)C(=O)N

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)OCC2CCN(CC2)CCCNC3=NC=CC(=N3)C(=O)N

InChI

InChI=1S/C21H28ClN5O3/c1-29-18-4-3-16(22)13-19(18)30-14-15-6-11-27(12-7-15)10-2-8-24-21-25-9-5-17(26-21)20(23)28/h3-5,9,13,15H,2,6-8,10-12,14H2,1H3,(H2,23,28)(H,24,25,26)