2-[1-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-oxidanylidene-4-phenethyl-1,4-diazepan-1-ium-1-yl]ethanamide

Systemtic Name: 2-[1-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-oxidanylidene-4-phenethyl-1,4-diazepan-1-ium-1-yl]ethanamide Openeye Name: 2-[1-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-oxo-4-phenethyl-1,4-diazepan-1-ium-1-yl]acetamide CAS Name: 2-[1-[6-(2-acetamidoethylamino)-2-phenyl-4-pyrimidinyl]-2-oxo-4-phenethyl-1,4-diazepan-1-ium-1-yl]acetamide IUPAC Name: 2-[1-[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]-2-oxo-4-phenethyl-1,4-diazepan-1-ium-1-yl]acetamide Traditional Name: 2-[1-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-keto-4-phenethyl-1,4-diazepan-1-ium-1-yl]acetamide Formula: C29H36N7O3+ MolecularWeight: 530.64124

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC1=CC(=NC(=N1)C2=CC=CC=C2)[N+]3(CCCN(CC3=O)CCC4=CC=CC=C4)CC(=O)N

Isomeric SMILES

CC(=O)NCCNC1=CC(=NC(=N1)C2=CC=CC=C2)[N+]3(CCCN(CC3=O)CCC4=CC=CC=C4)CC(=O)N

InChI

InChI=1S/C29H35N7O3/c1-22(37)31-14-15-32-26-19-27(34-29(33-26)24-11-6-3-7-12-24)36(21-25(30)38)18-8-16-35(20-28(36)39)17-13-23-9-4-2-5-10-23/h2-7,9-12,19H,8,13-18,20-21H2,1H3,(H3-,30,31,32,33,34,37,38)/p+1