(5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (5-methyl-3-phenyl-isoxazol-4-yl)-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: (5-methyl-3-phenyl-4-isoxazolyl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: (5-methyl-3-phenyl-isoxazol-4-yl)-[4-(2-thenyl)-1,4-diazepan-1-yl]methanone Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)N3CCCN(CC3)CC4=CC=CS4

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)N3CCCN(CC3)CC4=CC=CS4

InChI

InChI=1S/C21H23N3O2S/c1-16-19(20(22-26-16)17-7-3-2-4-8-17)21(25)24-11-6-10-23(12-13-24)15-18-9-5-14-27-18/h2-5,7-9,14H,6,10-13,15H2,1H3