N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-3-(4-methoxyphenyl)propanamide

Systemtic Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-3-(4-methoxyphenyl)propanamide Openeye Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-3-(4-methoxyphenyl)propanamide CAS Name: N-[2-[[6-(1-azepanyl)-4-pyrimidinyl]oxy]ethyl]-3-(4-methoxyphenyl)propanamide IUPAC Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-3-(4-methoxyphenyl)propanamide Traditional Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-3-(4-methoxyphenyl)propionamide Formula: C22H30N4O3 MolecularWeight: 398.4986

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCC(=O)NCCOC2=NC=NC(=C2)N3CCCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)CCC(=O)NCCOC2=NC=NC(=C2)N3CCCCCC3

InChI

InChI=1S/C22H30N4O3/c1-28-19-9-6-18(7-10-19)8-11-21(27)23-12-15-29-22-16-20(24-17-25-22)26-13-4-2-3-5-14-26/h6-7,9-10,16-17H,2-5,8,11-15H2,1H3,(H,23,27)