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

Systemtic Name: 1-[4-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-3-naphthalen-1-yl-prop-2-yn-1-one Openeye Name: 1-[4-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-3-(1-naphthyl)prop-2-yn-1-one CAS Name: 1-[4-[(5-chloro-1,3-dimethyl-4-pyrazolyl)methyl]-1,4-diazepan-1-yl]-3-(1-naphthalenyl)-2-propyn-1-one IUPAC Name: 1-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-3-naphthalen-1-ylprop-2-yn-1-one Traditional Name: 1-[4-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-3-(1-naphthyl)prop-2-yn-1-one Formula: C24H25ClN4O MolecularWeight: 420.9345

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CN2CCCN(CC2)C(=O)C#CC3=CC=CC4=CC=CC=C43)Cl)C

Isomeric SMILES

CC1=NN(C(=C1CN2CCCN(CC2)C(=O)C#CC3=CC=CC4=CC=CC=C43)Cl)C

InChI

InChI=1S/C24H25ClN4O/c1-18-22(24(25)27(2)26-18)17-28-13-6-14-29(16-15-28)23(30)12-11-20-9-5-8-19-7-3-4-10-21(19)20/h3-5,7-10H,6,13-17H2,1-2H3