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

Systemtic Name: quinolin-2-yl-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: 2-quinolyl-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: 2-quinolinyl-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: quinolin-2-yl-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: 2-quinolyl-[4-(2-thenyl)-1,4-diazepan-1-yl]methanone Formula: C20H21N3OS MolecularWeight: 351.46524

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=NC3=CC=CC=C3C=C2)CC4=CC=CS4

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=NC3=CC=CC=C3C=C2)CC4=CC=CS4

InChI

InChI=1S/C20H21N3OS/c24-20(19-9-8-16-5-1-2-7-18(16)21-19)23-11-4-10-22(12-13-23)15-17-6-3-14-25-17/h1-3,5-9,14H,4,10-13,15H2