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

Systemtic Name: (5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (5-methyl-3-phenyl-isoxazol-4-yl)-[4-(3-thienylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: (5-methyl-3-phenyl-4-isoxazolyl)-[4-(3-thiophenylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: (5-methyl-3-phenyl-isoxazol-4-yl)-[4-(3-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=CSC=C4

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)N3CCCN(CC3)CC4=CSC=C4

InChI

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