4-(azepan-1-yl)-N-[1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]pyrimidin-2-amine

Systemtic Name: 4-(azepan-1-yl)-N-[1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]pyrimidin-2-amine Openeye Name: 4-(azepan-1-yl)-N-[1-[(5-phenyl-1H-pyrazol-4-yl)methyl]-3-piperidyl]pyrimidin-2-amine CAS Name: 4-(1-azepanyl)-N-[1-[(5-phenyl-1H-pyrazol-4-yl)methyl]-3-piperidinyl]-2-pyrimidinamine IUPAC Name: 4-(azepan-1-yl)-N-[1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]pyrimidin-2-amine Traditional Name: [4-(azepan-1-yl)pyrimidin-2-yl]-[1-[(5-phenyl-1H-pyrazol-4-yl)methyl]-3-piperidyl]amine Formula: C25H33N7 MolecularWeight: 431.57642

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC(=NC=C2)NC3CCCN(C3)CC4=C(NN=C4)C5=CC=CC=C5

Isomeric SMILES

C1CCCN(CC1)C2=NC(=NC=C2)NC3CCCN(C3)CC4=C(NN=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H33N7/c1-2-7-16-32(15-6-1)23-12-13-26-25(29-23)28-22-11-8-14-31(19-22)18-21-17-27-30-24(21)20-9-4-3-5-10-20/h3-5,9-10,12-13,17,22H,1-2,6-8,11,14-16,18-19H2,(H,27,30)(H,26,28,29)