N-[3-[2-(1-methylpyrrol-2-yl)azepan-1-yl]carbonylphenyl]thiophene-2-carboxamide

Systemtic Name: N-[3-[2-(1-methylpyrrol-2-yl)azepan-1-yl]carbonylphenyl]thiophene-2-carboxamide Openeye Name: N-[3-[2-(1-methylpyrrol-2-yl)azepane-1-carbonyl]phenyl]thiophene-2-carboxamide CAS Name: N-[3-[[2-(1-methyl-2-pyrrolyl)-1-azepanyl]-oxomethyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[3-[2-(1-methylpyrrol-2-yl)azepane-1-carbonyl]phenyl]thiophene-2-carboxamide Traditional Name: N-[3-[2-(1-methylpyrrol-2-yl)azepane-1-carbonyl]phenyl]thiophene-2-carboxamide Formula: C23H25N3O2S MolecularWeight: 407.5285

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2CCCCCN2C(=O)C3=CC(=CC=C3)NC(=O)C4=CC=CS4

Isomeric SMILES

CN1C=CC=C1C2CCCCCN2C(=O)C3=CC(=CC=C3)NC(=O)C4=CC=CS4

InChI

InChI=1S/C23H25N3O2S/c1-25-13-6-11-19(25)20-10-3-2-4-14-26(20)23(28)17-8-5-9-18(16-17)24-22(27)21-12-7-15-29-21/h5-9,11-13,15-16,20H,2-4,10,14H2,1H3,(H,24,27)