1-oxidanidyl-N-[1-(phenylmethyl)pyrrolidin-3-yl]-3-(pyridin-3-ylamino)-1,2,4-benzotriazin-1-ium-7-carboxamide

Systemtic Name: 1-oxidanidyl-N-[1-(phenylmethyl)pyrrolidin-3-yl]-3-(pyridin-3-ylamino)-1,2,4-benzotriazin-1-ium-7-carboxamide Openeye Name: N-(1-benzylpyrrolidin-3-yl)-1-oxido-3-(3-pyridylamino)-1,2,4-benzotriazin-1-ium-7-carboxamide CAS Name: 1-oxido-N-[1-(phenylmethyl)-3-pyrrolidinyl]-3-(3-pyridinylamino)-1,2,4-benzotriazin-1-ium-7-carboxamide IUPAC Name: N-(1-benzylpyrrolidin-3-yl)-1-oxido-3-(pyridin-3-ylamino)-1,2,4-benzotriazin-1-ium-7-carboxamide Traditional Name: N-(1-benzylpyrrolidin-3-yl)-1-oxido-3-(3-pyridylamino)-1,2,4-benzotriazin-1-ium-7-carboxamide Formula: C24H23N7O2 MolecularWeight: 441.48512

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1NC(=O)C2=CC3=C(C=C2)N=C(N=[N+]3[O-])NC4=CN=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CC1NC(=O)C2=CC3=C(C=C2)N=C(N=[N+]3[O-])NC4=CN=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C24H23N7O2/c32-23(26-20-10-12-30(16-20)15-17-5-2-1-3-6-17)18-8-9-21-22(13-18)31(33)29-24(28-21)27-19-7-4-11-25-14-19/h1-9,11,13-14,20H,10,12,15-16H2,(H,26,32)(H,27,28,29)