(2-phenylquinolin-4-yl)-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (2-phenylquinolin-4-yl)-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (2-phenyl-4-quinolyl)-[4-(3-thienylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: (2-phenyl-4-quinolinyl)-[4-(3-thiophenylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (2-phenylquinolin-4-yl)-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: (2-phenyl-4-quinolyl)-[4-(3-thenyl)-1,4-diazepan-1-yl]methanone Formula: C26H25N3OS MolecularWeight: 427.5612

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4)CC5=CSC=C5

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4)CC5=CSC=C5

InChI

InChI=1S/C26H25N3OS/c30-26(29-13-6-12-28(14-15-29)18-20-11-16-31-19-20)23-17-25(21-7-2-1-3-8-21)27-24-10-5-4-9-22(23)24/h1-5,7-11,16-17,19H,6,12-15,18H2