N-(1-benzothiophen-2-ylmethyl)-1-(7-methoxy-4-methyl-quinazolin-2-yl)piperidine-4-carboxamide

Systemtic Name: N-(1-benzothiophen-2-ylmethyl)-1-(7-methoxy-4-methyl-quinazolin-2-yl)piperidine-4-carboxamide Openeye Name: N-(benzothiophen-2-ylmethyl)-1-(7-methoxy-4-methyl-quinazolin-2-yl)piperidine-4-carboxamide CAS Name: N-(1-benzothiophen-2-ylmethyl)-1-(7-methoxy-4-methyl-2-quinazolinyl)-4-piperidinecarboxamide IUPAC Name: N-(1-benzothiophen-2-ylmethyl)-1-(7-methoxy-4-methylquinazolin-2-yl)piperidine-4-carboxamide Traditional Name: N-(benzothiophen-2-ylmethyl)-1-(7-methoxy-4-methyl-quinazolin-2-yl)isonipecotamide Formula: C25H26N4O2S MolecularWeight: 446.56454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=C1C=CC(=C2)OC)N3CCC(CC3)C(=O)NCC4=CC5=CC=CC=C5S4

Isomeric SMILES

CC1=NC(=NC2=C1C=CC(=C2)OC)N3CCC(CC3)C(=O)NCC4=CC5=CC=CC=C5S4

InChI

InChI=1S/C25H26N4O2S/c1-16-21-8-7-19(31-2)14-22(21)28-25(27-16)29-11-9-17(10-12-29)24(30)26-15-20-13-18-5-3-4-6-23(18)32-20/h3-8,13-14,17H,9-12,15H2,1-2H3,(H,26,30)