3-phenyl-N-[(E)-pyridin-4-ylmethylideneamino]-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide

Systemtic Name: 3-phenyl-N-[(E)-pyridin-4-ylmethylideneamino]-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide Openeye Name: 3-phenyl-N-[(E)-4-pyridylmethyleneamino]-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide CAS Name: 3-phenyl-N-[(E)-pyridin-4-ylmethylideneamino]-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide IUPAC Name: 3-phenyl-N-[(E)-pyridin-4-ylmethylideneamino]-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide Traditional Name: 3-phenyl-N-[(E)-4-pyridylmethyleneamino]-6,7,8,9-tetrahydro-5H-imidaz[1,5-a]azepine-1-carboxamide Formula: C21H21N5O MolecularWeight: 359.42434

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(N=C(N2CC1)C3=CC=CC=C3)C(=O)NN=CC4=CC=NC=C4

Isomeric SMILES

C1CCC2=C(N=C(N2CC1)C3=CC=CC=C3)C(=O)N/N=C/C4=CC=NC=C4

InChI

InChI=1S/C21H21N5O/c27-21(25-23-15-16-10-12-22-13-11-16)19-18-9-5-2-6-14-26(18)20(24-19)17-7-3-1-4-8-17/h1,3-4,7-8,10-13,15H,2,5-6,9,14H2,(H,25,27)/b23-15+