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

Systemtic Name: (2-phenylquinolin-4-yl)-[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (2-phenyl-4-quinolyl)-[4-(thiazol-2-ylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: (2-phenyl-4-quinolinyl)-[4-(2-thiazolylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (2-phenylquinolin-4-yl)-[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: (2-phenyl-4-quinolyl)-[4-(thiazol-2-ylmethyl)-1,4-diazepan-1-yl]methanone Formula: C25H24N4OS MolecularWeight: 428.54926

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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=NC=CS5

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4)CC5=NC=CS5

InChI

InChI=1S/C25H24N4OS/c30-25(29-13-6-12-28(14-15-29)18-24-26-11-16-31-24)21-17-23(19-7-2-1-3-8-19)27-22-10-5-4-9-20(21)22/h1-5,7-11,16-17H,6,12-15,18H2