4-(azepan-1-yl)-N-[1-[(3-phenoxyphenyl)methyl]piperidin-3-yl]pyrimidin-2-amine

Systemtic Name: 4-(azepan-1-yl)-N-[1-[(3-phenoxyphenyl)methyl]piperidin-3-yl]pyrimidin-2-amine Openeye Name: 4-(azepan-1-yl)-N-[1-[(3-phenoxyphenyl)methyl]-3-piperidyl]pyrimidin-2-amine CAS Name: 4-(1-azepanyl)-N-[1-[(3-phenoxyphenyl)methyl]-3-piperidinyl]-2-pyrimidinamine IUPAC Name: 4-(azepan-1-yl)-N-[1-[(3-phenoxyphenyl)methyl]piperidin-3-yl]pyrimidin-2-amine Traditional Name: [4-(azepan-1-yl)pyrimidin-2-yl]-[1-(3-phenoxybenzyl)-3-piperidyl]amine Formula: C28H35N5O MolecularWeight: 457.6104

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC(=NC=C2)NC3CCCN(C3)CC4=CC(=CC=C4)OC5=CC=CC=C5

Isomeric SMILES

C1CCCN(CC1)C2=NC(=NC=C2)NC3CCCN(C3)CC4=CC(=CC=C4)OC5=CC=CC=C5

InChI

InChI=1S/C28H35N5O/c1-2-7-19-33(18-6-1)27-15-16-29-28(31-27)30-24-11-9-17-32(22-24)21-23-10-8-14-26(20-23)34-25-12-4-3-5-13-25/h3-5,8,10,12-16,20,24H,1-2,6-7,9,11,17-19,21-22H2,(H,29,30,31)