3-naphthalen-1-yl-1-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]prop-2-yn-1-one

Systemtic Name: 3-naphthalen-1-yl-1-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]prop-2-yn-1-one Openeye Name: 3-(1-naphthyl)-1-[4-(3-thienylmethyl)-1,4-diazepan-1-yl]prop-2-yn-1-one CAS Name: 3-(1-naphthalenyl)-1-[4-(3-thiophenylmethyl)-1,4-diazepan-1-yl]-2-propyn-1-one IUPAC Name: 3-naphthalen-1-yl-1-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]prop-2-yn-1-one Traditional Name: 3-(1-naphthyl)-1-[4-(3-thenyl)-1,4-diazepan-1-yl]prop-2-yn-1-one Formula: C23H22N2OS MolecularWeight: 374.49858

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C#CC2=CC=CC3=CC=CC=C32)CC4=CSC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)C#CC2=CC=CC3=CC=CC=C32)CC4=CSC=C4

InChI

InChI=1S/C23H22N2OS/c26-23(10-9-21-7-3-6-20-5-1-2-8-22(20)21)25-13-4-12-24(14-15-25)17-19-11-16-27-18-19/h1-3,5-8,11,16,18H,4,12-15,17H2