2-[2-[[3-(diazanylmethylideneamino)naphthalen-1-yl]carbonylamino]ethanoylamino]-3-pyridin-3-yl-propanoate

Systemtic Name: 2-[2-[[3-(diazanylmethylideneamino)naphthalen-1-yl]carbonylamino]ethanoylamino]-3-pyridin-3-yl-propanoate Openeye Name: 2-[[2-[[3-(hydrazinomethyleneamino)naphthalene-1-carbonyl]amino]acetyl]amino]-3-(3-pyridyl)propanoate CAS Name: 2-[[2-[[[3-(hydrazinylmethylideneamino)-1-naphthalenyl]-oxomethyl]amino]-1-oxoethyl]amino]-3-(3-pyridinyl)propanoate IUPAC Name: 2-[[2-[[3-(hydrazinylmethylideneamino)naphthalene-1-carbonyl]amino]acetyl]amino]-3-pyridin-3-ylpropanoate Traditional Name: 2-[[2-[[3-(hydrazinomethyleneamino)-1-naphthoyl]amino]acetyl]amino]-3-(3-pyridyl)propionate Formula: C22H21N6O4- MolecularWeight: 433.43994

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C=C2C(=O)NCC(=O)NC(CC3=CN=CC=C3)C(=O)[O-])N=CNN

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C=C2C(=O)NCC(=O)NC(CC3=CN=CC=C3)C(=O)[O-])N=CNN

InChI

InChI=1S/C22H22N6O4/c23-27-13-26-16-9-15-5-1-2-6-17(15)18(10-16)21(30)25-12-20(29)28-19(22(31)32)8-14-4-3-7-24-11-14/h1-7,9-11,13,19H,8,12,23H2,(H,25,30)(H,26,27)(H,28,29)(H,31,32)/p-1