1,2-dihydroacenaphthylen-5-yl-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: 1,2-dihydroacenaphthylen-5-yl-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: 1,2-dihydroacenaphthylen-5-yl-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: 1,2-dihydroacenaphthylen-5-yl-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: 1,2-dihydroacenaphthylen-5-yl-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: acenaphthen-5-yl-[4-(2-thenyl)-1,4-diazepan-1-yl]methanone Formula: C23H24N2OS MolecularWeight: 376.51446

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=C3C=CC=C4C3=C(CC4)C=C2)CC5=CC=CS5

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=C3C=CC=C4C3=C(CC4)C=C2)CC5=CC=CS5

InChI

InChI=1S/C23H24N2OS/c26-23(21-10-9-18-8-7-17-4-1-6-20(21)22(17)18)25-12-3-11-24(13-14-25)16-19-5-2-15-27-19/h1-2,4-6,9-10,15H,3,7-8,11-14,16H2