4-chloranyl-1-[4-[6-ethyl-5-[(4-methoxyphenyl)methyl]-2-methyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]butan-1-one

Systemtic Name: 4-chloranyl-1-[4-[6-ethyl-5-[(4-methoxyphenyl)methyl]-2-methyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]butan-1-one Openeye Name: 4-chloro-1-[4-[6-ethyl-5-[(4-methoxyphenyl)methyl]-2-methyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]butan-1-one CAS Name: 4-chloro-1-[4-[6-ethyl-5-[(4-methoxyphenyl)methyl]-2-methyl-4-pyrimidinyl]-1,4-diazepan-1-yl]-1-butanone IUPAC Name: 4-chloro-1-[4-[6-ethyl-5-[(4-methoxyphenyl)methyl]-2-methylpyrimidin-4-yl]-1,4-diazepan-1-yl]butan-1-one Traditional Name: 4-chloro-1-[4-(6-ethyl-2-methyl-5-p-anisyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]butan-1-one Formula: C24H33ClN4O2 MolecularWeight: 444.99742

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)CCCCl)CC3=CC=C(C=C3)OC

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)CCCCl)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C24H33ClN4O2/c1-4-22-21(17-19-8-10-20(31-3)11-9-19)24(27-18(2)26-22)29-14-6-13-28(15-16-29)23(30)7-5-12-25/h8-11H,4-7,12-17H2,1-3H3