2-(1,3-benzodioxol-5-yl)-4-(5-methylfuran-2-yl)-2,3-dihydro-1H-1,5-benzodiazepine

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-4-(5-methylfuran-2-yl)-2,3-dihydro-1H-1,5-benzodiazepine Openeye Name: 2-(1,3-benzodioxol-5-yl)-4-(5-methyl-2-furyl)-2,3-dihydro-1H-1,5-benzodiazepine CAS Name: 2-(1,3-benzodioxol-5-yl)-4-(5-methyl-2-furanyl)-2,3-dihydro-1H-1,5-benzodiazepine IUPAC Name: 2-(1,3-benzodioxol-5-yl)-4-(5-methylfuran-2-yl)-2,3-dihydro-1H-1,5-benzodiazepine Traditional Name: 2-(1,3-benzodioxol-5-yl)-4-(5-methyl-2-furyl)-2,3-dihydro-1H-1,5-benzodiazepine Formula: C21H18N2O3 MolecularWeight: 346.37922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2=NC3=CC=CC=C3NC(C2)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC=C(O1)C2=NC3=CC=CC=C3NC(C2)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H18N2O3/c1-13-6-8-19(26-13)18-11-17(22-15-4-2-3-5-16(15)23-18)14-7-9-20-21(10-14)25-12-24-20/h2-10,17,22H,11-12H2,1H3