3-methyl-4-oxidanidyl-1-(phenylmethyl)-2,3-dihydrochromeno[4,3-e][1,4]diazepin-4-ium-6-one

Systemtic Name: 3-methyl-4-oxidanidyl-1-(phenylmethyl)-2,3-dihydrochromeno[4,3-e][1,4]diazepin-4-ium-6-one Openeye Name: 1-benzyl-3-methyl-4-oxido-2,3-dihydrochromeno[4,3-e][1,4]diazepin-4-ium-6-one CAS Name: 3-methyl-4-oxido-1-(phenylmethyl)-2,3-dihydro[1]benzopyrano[4,3-e][1,4]diazepin-4-ium-6-one IUPAC Name: 1-benzyl-3-methyl-4-oxido-2,3-dihydrochromeno[4,3-e][1,4]diazepin-4-ium-6-one Traditional Name: 1-benzyl-3-methyl-4-oxido-2,3-dihydrochromeno[4,3-e][1,4]diazepin-4-ium-6-one Formula: C20H18N2O3 MolecularWeight: 334.36852

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C2=C(C=[N+]1[O-])C(=O)OC3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

CC1CN(C2=C(C=[N+]1[O-])C(=O)OC3=CC=CC=C32)CC4=CC=CC=C4

InChI

InChI=1S/C20H18N2O3/c1-14-11-21(12-15-7-3-2-4-8-15)19-16-9-5-6-10-18(16)25-20(23)17(19)13-22(14)24/h2-10,13-14H,11-12H2,1H3