5-ethynyl-N-[2-methyl-1-[(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)amino]-1-oxidanylidene-propan-2-yl]thiophene-2-carboxamide

Systemtic Name: 5-ethynyl-N-[2-methyl-1-[(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)amino]-1-oxidanylidene-propan-2-yl]thiophene-2-carboxamide Openeye Name: N-[1,1-dimethyl-2-[(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)amino]-2-oxo-ethyl]-5-ethynyl-thiophene-2-carboxamide CAS Name: 5-ethynyl-N-[2-methyl-1-[(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)amino]-1-oxopropan-2-yl]-2-thiophenecarboxamide IUPAC Name: 5-ethynyl-N-[2-methyl-1-[(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide Traditional Name: 5-ethynyl-N-[2-keto-1,1-dimethyl-2-[(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)amino]ethyl]thiophene-2-carboxamide Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NC1=CC2=C(CCN(CC2)C)C=C1)NC(=O)C3=CC=C(S3)C#C

Isomeric SMILES

CC(C)(C(=O)NC1=CC2=C(CCN(CC2)C)C=C1)NC(=O)C3=CC=C(S3)C#C

InChI

InChI=1S/C22H25N3O2S/c1-5-18-8-9-19(28-18)20(26)24-22(2,3)21(27)23-17-7-6-15-10-12-25(4)13-11-16(15)14-17/h1,6-9,14H,10-13H2,2-4H3,(H,23,27)(H,24,26)