3-[3-azanyl-5-(1,3-benzodioxol-5-yl)-5,6-dihydro-2H-1,2,4-triazepin-7-yl]chromen-2-one

Systemtic Name: 3-[3-azanyl-5-(1,3-benzodioxol-5-yl)-5,6-dihydro-2H-1,2,4-triazepin-7-yl]chromen-2-one Openeye Name: 3-[3-amino-5-(1,3-benzodioxol-5-yl)-5,6-dihydro-2H-1,2,4-triazepin-7-yl]chromen-2-one CAS Name: 3-[3-amino-5-(1,3-benzodioxol-5-yl)-5,6-dihydro-2H-1,2,4-triazepin-7-yl]-1-benzopyran-2-one IUPAC Name: 3-[3-amino-5-(1,3-benzodioxol-5-yl)-5,6-dihydro-2H-1,2,4-triazepin-7-yl]chromen-2-one Traditional Name: 3-[3-amino-5-(1,3-benzodioxol-5-yl)-5,6-dihydro-2H-1,2,4-triazepin-7-yl]coumarin Formula: C20H16N4O4 MolecularWeight: 376.36544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(N=C(NN=C1C2=CC3=CC=CC=C3OC2=O)N)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C(N=C(NN=C1C2=CC3=CC=CC=C3OC2=O)N)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C20H16N4O4/c21-20-22-14(11-5-6-17-18(8-11)27-10-26-17)9-15(23-24-20)13-7-12-3-1-2-4-16(12)28-19(13)25/h1-8,14H,9-10H2,(H3,21,22,24)