N-[(1R)-2-(1H-imidazol-2-yl)-1-phenyl-ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide

Systemtic Name: N-[(1R)-2-(1H-imidazol-2-yl)-1-phenyl-ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Openeye Name: N-[(1R)-2-(1H-imidazol-2-yl)-1-phenyl-ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide CAS Name: N-[(1R)-2-(1H-imidazol-2-yl)-1-phenylethyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide IUPAC Name: N-[(1R)-2-(1H-imidazol-2-yl)-1-phenylethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Traditional Name: N-[(1R)-2-(1H-imidazol-2-yl)-1-phenyl-ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)NC(CC3=NC=CN3)C4=CC=CC=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)N[C@H](CC3=NC=CN3)C4=CC=CC=C4)OC1

InChI

InChI=1S/C21H21N3O3/c25-21(16-7-8-18-19(13-16)27-12-4-11-26-18)24-17(14-20-22-9-10-23-20)15-5-2-1-3-6-15/h1-3,5-10,13,17H,4,11-12,14H2,(H,22,23)(H,24,25)/t17-/m1/s1