[2-(3-methoxyphenyl)cyclopropyl]-[4-[(pyrimidin-2-ylamino)methyl]piperidin-1-yl]methanone

Systemtic Name: [2-(3-methoxyphenyl)cyclopropyl]-[4-[(pyrimidin-2-ylamino)methyl]piperidin-1-yl]methanone Openeye Name: [2-(3-methoxyphenyl)cyclopropyl]-[4-[(pyrimidin-2-ylamino)methyl]-1-piperidyl]methanone CAS Name: [2-(3-methoxyphenyl)cyclopropyl]-[4-[(2-pyrimidinylamino)methyl]-1-piperidinyl]methanone IUPAC Name: [2-(3-methoxyphenyl)cyclopropyl]-[4-[(pyrimidin-2-ylamino)methyl]piperidin-1-yl]methanone Traditional Name: [2-(3-methoxyphenyl)cyclopropyl]-[4-[(2-pyrimidylamino)methyl]piperidino]methanone Formula: C21H26N4O2 MolecularWeight: 366.45674

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2CC2C(=O)N3CCC(CC3)CNC4=NC=CC=N4

Isomeric SMILES

COC1=CC=CC(=C1)C2CC2C(=O)N3CCC(CC3)CNC4=NC=CC=N4

InChI

InChI=1S/C21H26N4O2/c1-27-17-5-2-4-16(12-17)18-13-19(18)20(26)25-10-6-15(7-11-25)14-24-21-22-8-3-9-23-21/h2-5,8-9,12,15,18-19H,6-7,10-11,13-14H2,1H3,(H,22,23,24)