1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,4-diazepan-1-yl]-3-naphthalen-1-yl-prop-2-yn-1-one

Systemtic Name: 1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,4-diazepan-1-yl]-3-naphthalen-1-yl-prop-2-yn-1-one Openeye Name: 1-[4-[(3,5-dimethylisoxazol-4-yl)methyl]-1,4-diazepan-1-yl]-3-(1-naphthyl)prop-2-yn-1-one CAS Name: 1-[4-[(3,5-dimethyl-4-isoxazolyl)methyl]-1,4-diazepan-1-yl]-3-(1-naphthalenyl)-2-propyn-1-one IUPAC Name: 1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,4-diazepan-1-yl]-3-naphthalen-1-ylprop-2-yn-1-one Traditional Name: 1-[4-[(3,5-dimethylisoxazol-4-yl)methyl]-1,4-diazepan-1-yl]-3-(1-naphthyl)prop-2-yn-1-one Formula: C24H25N3O2 MolecularWeight: 387.4742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CN2CCCN(CC2)C(=O)C#CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC1=C(C(=NO1)C)CN2CCCN(CC2)C(=O)C#CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C24H25N3O2/c1-18-23(19(2)29-25-18)17-26-13-6-14-27(16-15-26)24(28)12-11-21-9-5-8-20-7-3-4-10-22(20)21/h3-5,7-10H,6,13-17H2,1-2H3