N-[6-(azonan-1-yl)pyrimidin-4-yl]-1-[4-(oxan-4-yloxy)phenyl]azepan-3-amine

Systemtic Name: N-[6-(azonan-1-yl)pyrimidin-4-yl]-1-[4-(oxan-4-yloxy)phenyl]azepan-3-amine Openeye Name: N-[6-(azonan-1-yl)pyrimidin-4-yl]-1-(4-tetrahydropyran-4-yloxyphenyl)azepan-3-amine CAS Name: N-[6-(1-azonanyl)-4-pyrimidinyl]-1-[4-(4-oxanyloxy)phenyl]-3-azepanamine IUPAC Name: N-[6-(azonan-1-yl)pyrimidin-4-yl]-1-[4-(oxan-4-yloxy)phenyl]azepan-3-amine Traditional Name: [6-(azonan-1-yl)pyrimidin-4-yl]-[1-(4-tetrahydropyran-4-yloxyphenyl)azepan-3-yl]amine Formula: C29H43N5O2 MolecularWeight: 493.68402

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCCN(CCC1)C2=CC(=NC=N2)NC3CCCCN(C3)C4=CC=C(C=C4)OC5CCOCC5

Isomeric SMILES

C1CCCCN(CCC1)C2=CC(=NC=N2)NC3CCCCN(C3)C4=CC=C(C=C4)OC5CCOCC5

InChI

InChI=1S/C29H43N5O2/c1-2-4-7-17-33(16-6-3-1)29-21-28(30-23-31-29)32-24-9-5-8-18-34(22-24)25-10-12-26(13-11-25)36-27-14-19-35-20-15-27/h10-13,21,23-24,27H,1-9,14-20,22H2,(H,30,31,32)