4-(azepan-1-yl)-N-[1-[(3-phenylmethoxyphenyl)methyl]pyrrolidin-3-yl]pyrimidin-2-amine

Systemtic Name: 4-(azepan-1-yl)-N-[1-[(3-phenylmethoxyphenyl)methyl]pyrrolidin-3-yl]pyrimidin-2-amine Openeye Name: 4-(azepan-1-yl)-N-[1-[(3-benzyloxyphenyl)methyl]pyrrolidin-3-yl]pyrimidin-2-amine CAS Name: 4-(1-azepanyl)-N-[1-[(3-phenylmethoxyphenyl)methyl]-3-pyrrolidinyl]-2-pyrimidinamine IUPAC Name: 4-(azepan-1-yl)-N-[1-[(3-phenylmethoxyphenyl)methyl]pyrrolidin-3-yl]pyrimidin-2-amine Traditional Name: [4-(azepan-1-yl)pyrimidin-2-yl]-[1-(3-benzoxybenzyl)pyrrolidin-3-yl]amine Formula: C28H35N5O MolecularWeight: 457.6104

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC(=NC=C2)NC3CCN(C3)CC4=CC(=CC=C4)OCC5=CC=CC=C5

Isomeric SMILES

C1CCCN(CC1)C2=NC(=NC=C2)NC3CCN(C3)CC4=CC(=CC=C4)OCC5=CC=CC=C5

InChI

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