N-(1,3-benzodioxol-5-ylmethyl)-3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide Traditional Name: 3-phenyl-N-piperonyl-6,7,8,9-tetrahydro-5H-imidaz[1,5-a]azepine-1-carboxamide Formula: C23H23N3O3 MolecularWeight: 389.44702

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(N=C(N2CC1)C3=CC=CC=C3)C(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCC2=C(N=C(N2CC1)C3=CC=CC=C3)C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H23N3O3/c27-23(24-14-16-10-11-19-20(13-16)29-15-28-19)21-18-9-5-2-6-12-26(18)22(25-21)17-7-3-1-4-8-17/h1,3-4,7-8,10-11,13H,2,5-6,9,12,14-15H2,(H,24,27)