N-[2-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]ethyl]-2,2-diphenyl-ethanamide

Systemtic Name: N-[2-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]ethyl]-2,2-diphenyl-ethanamide Openeye Name: N-[2-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]ethyl]-2,2-diphenyl-acetamide CAS Name: N-[2-[[4-(1-azepanyl)-2-pyrimidinyl]amino]ethyl]-2,2-diphenylacetamide IUPAC Name: N-[2-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]ethyl]-2,2-diphenylacetamide Traditional Name: N-[2-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]ethyl]-2,2-diphenyl-acetamide Formula: C26H31N5O MolecularWeight: 429.55724

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC(=NC=C2)NCCNC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C2=NC(=NC=C2)NCCNC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H31N5O/c32-25(24(21-11-5-3-6-12-21)22-13-7-4-8-14-22)27-17-18-29-26-28-16-15-23(30-26)31-19-9-1-2-10-20-31/h3-8,11-16,24H,1-2,9-10,17-20H2,(H,27,32)(H,28,29,30)