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

Systemtic Name: 3-naphthalen-1-yl-1-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]prop-2-yn-1-one Openeye Name: 3-(1-naphthyl)-1-[4-(3-pyridylmethyl)-1,4-diazepan-1-yl]prop-2-yn-1-one CAS Name: 3-(1-naphthalenyl)-1-[4-(3-pyridinylmethyl)-1,4-diazepan-1-yl]-2-propyn-1-one IUPAC Name: 3-naphthalen-1-yl-1-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]prop-2-yn-1-one Traditional Name: 3-(1-naphthyl)-1-[4-(3-pyridylmethyl)-1,4-diazepan-1-yl]prop-2-yn-1-one Formula: C24H23N3O MolecularWeight: 369.45892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23N3O/c28-24(12-11-22-9-3-8-21-7-1-2-10-23(21)22)27-15-5-14-26(16-17-27)19-20-6-4-13-25-18-20/h1-4,6-10,13,18H,5,14-17,19H2