1-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-4-(5-methylthiophen-2-yl)butane-1,4-dione

Systemtic Name: 1-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-4-(5-methylthiophen-2-yl)butane-1,4-dione Openeye Name: 1-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-4-(5-methyl-2-thienyl)butane-1,4-dione CAS Name: 1-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-4-(5-methyl-2-thiophenyl)butane-1,4-dione IUPAC Name: 1-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-4-(5-methylthiophen-2-yl)butane-1,4-dione Traditional Name: 1-(5-methyl-2-thienyl)-4-(4-p-anisyl-1,4-diazepan-1-yl)butane-1,4-dione Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)CCC(=O)N2CCCN(CC2)CC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC=C(S1)C(=O)CCC(=O)N2CCCN(CC2)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C22H28N2O3S/c1-17-4-10-21(28-17)20(25)9-11-22(26)24-13-3-12-23(14-15-24)16-18-5-7-19(27-2)8-6-18/h4-8,10H,3,9,11-16H2,1-2H3