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

Systemtic Name: 4-(azepan-1-yl)-N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)-phenyl-methyl]piperidin-3-yl]pyrimidin-2-amine Openeye Name: 4-(azepan-1-yl)-N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)-phenyl-methyl]-3-piperidyl]pyrimidin-2-amine CAS Name: 4-(1-azepanyl)-N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)-phenylmethyl]-3-piperidinyl]-2-pyrimidinamine IUPAC Name: 4-(azepan-1-yl)-N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)-phenylmethyl]piperidin-3-yl]pyrimidin-2-amine Traditional Name: [4-(azepan-1-yl)pyrimidin-2-yl]-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)-phenyl-methyl]-3-piperidyl]amine Formula: C27H37N7 MolecularWeight: 459.62958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)C(C2=CC=CC=C2)N3CCCC(C3)NC4=NC=CC(=N4)N5CCCCCC5

Isomeric SMILES

CC1=C(C(=NN1)C)C(C2=CC=CC=C2)N3CCCC(C3)NC4=NC=CC(=N4)N5CCCCCC5

InChI

InChI=1S/C27H37N7/c1-20-25(21(2)32-31-20)26(22-11-6-5-7-12-22)34-18-10-13-23(19-34)29-27-28-15-14-24(30-27)33-16-8-3-4-9-17-33/h5-7,11-12,14-15,23,26H,3-4,8-10,13,16-19H2,1-2H3,(H,31,32)(H,28,29,30)