4-[1-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-pyrrolidin-1-yl-propyl]-2-propan-2-yl-1,3-thiazole

Systemtic Name: 4-[1-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-pyrrolidin-1-yl-propyl]-2-propan-2-yl-1,3-thiazole Openeye Name: 2-isopropyl-4-[1-[4-(7-methoxy-8-quinolyl)-1,4-diazepan-1-yl]-3-pyrrolidin-1-yl-propyl]thiazole CAS Name: 4-[1-[4-(7-methoxy-8-quinolinyl)-1,4-diazepan-1-yl]-3-(1-pyrrolidinyl)propyl]-2-propan-2-ylthiazole IUPAC Name: 4-[1-[4-(7-methoxyquinolin-8-yl)-1,4-diazepan-1-yl]-3-pyrrolidin-1-ylpropyl]-2-propan-2-yl-1,3-thiazole Traditional Name: 2-isopropyl-4-[1-[4-(7-methoxy-8-quinolyl)-1,4-diazepan-1-yl]-3-pyrrolidino-propyl]thiazole Formula: C28H39N5OS MolecularWeight: 493.70716

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=CS1)C(CCN2CCCC2)N3CCCN(CC3)C4=C(C=CC5=C4N=CC=C5)OC

Isomeric SMILES

CC(C)C1=NC(=CS1)C(CCN2CCCC2)N3CCCN(CC3)C4=C(C=CC5=C4N=CC=C5)OC

InChI

InChI=1S/C28H39N5OS/c1-21(2)28-30-23(20-35-28)24(11-17-31-13-4-5-14-31)32-15-7-16-33(19-18-32)27-25(34-3)10-9-22-8-6-12-29-26(22)27/h6,8-10,12,20-21,24H,4-5,7,11,13-19H2,1-3H3