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

Systemtic Name: 4-(azepan-1-yl)-N-[1-[(4-phenoxyphenyl)methyl]piperidin-3-yl]pyrimidin-2-amine Openeye Name: 4-(azepan-1-yl)-N-[1-[(4-phenoxyphenyl)methyl]-3-piperidyl]pyrimidin-2-amine CAS Name: 4-(1-azepanyl)-N-[1-[(4-phenoxyphenyl)methyl]-3-piperidinyl]-2-pyrimidinamine IUPAC Name: 4-(azepan-1-yl)-N-[1-[(4-phenoxyphenyl)methyl]piperidin-3-yl]pyrimidin-2-amine Traditional Name: [4-(azepan-1-yl)pyrimidin-2-yl]-[1-(4-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=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

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

InChI

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