4,7-dimethyl-3-(phenylmethyl)-5-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-ylmethoxy)chromen-2-one

Systemtic Name: 4,7-dimethyl-3-(phenylmethyl)-5-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-ylmethoxy)chromen-2-one Openeye Name: 3-benzyl-4,7-dimethyl-5-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-ylmethoxy)chromen-2-one CAS Name: 4,7-dimethyl-3-(phenylmethyl)-5-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-ylmethoxy)-1-benzopyran-2-one IUPAC Name: 3-benzyl-4,7-dimethyl-5-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-ylmethoxy)chromen-2-one Traditional Name: 3-benzyl-4,7-dimethyl-5-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-ylmethoxy)coumarin Formula: C20H17N4O3- MolecularWeight: 361.37398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C(C(=O)O2)CC3=CC=CC=C3)C)C(=C1)OCC4=NN=N[N-]4

Isomeric SMILES

CC1=CC2=C(C(=C(C(=O)O2)CC3=CC=CC=C3)C)C(=C1)OCC4=NN=N[N-]4

InChI

InChI=1S/C20H17N4O3/c1-12-8-16(26-11-18-21-23-24-22-18)19-13(2)15(20(25)27-17(19)9-12)10-14-6-4-3-5-7-14/h3-9H,10-11H2,1-2H3/q-1