2,3,4,5-tetrahydro-1-benzazepin-1-yl-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone

Systemtic Name: 2,3,4,5-tetrahydro-1-benzazepin-1-yl-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone Openeye Name: 2,3,4,5-tetrahydro-1-benzazepin-1-yl-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone CAS Name: 2,3,4,5-tetrahydro-1-benzazepin-1-yl-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone IUPAC Name: 2,3,4,5-tetrahydro-1-benzazepin-1-yl-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone Traditional Name: 2,3,4,5-tetrahydro-1-benzazepin-1-yl-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanone Formula: C20H20N4O MolecularWeight: 332.399

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C2=CC=CC=C2C1)C(=O)C3=CC=C(C=C3)CN4C=NC=N4

Isomeric SMILES

C1CCN(C2=CC=CC=C2C1)C(=O)C3=CC=C(C=C3)CN4C=NC=N4

InChI

InChI=1S/C20H20N4O/c25-20(24-12-4-3-6-17-5-1-2-7-19(17)24)18-10-8-16(9-11-18)13-23-15-21-14-22-23/h1-2,5,7-11,14-15H,3-4,6,12-13H2