3-(1H-1,2-diazepin-7-ylamino)-2-indol-1-yl-3-oxidanylidene-propanoic acid

Systemtic Name: 3-(1H-1,2-diazepin-7-ylamino)-2-indol-1-yl-3-oxidanylidene-propanoic acid Openeye Name: 3-(1H-diazepin-7-ylamino)-2-indol-1-yl-3-oxo-propanoic acid CAS Name: 3-(1H-diazepin-7-ylamino)-2-(1-indolyl)-3-oxopropanoic acid IUPAC Name: 3-(1H-diazepin-7-ylamino)-2-indol-1-yl-3-oxopropanoic acid Traditional Name: 3-(1H-diazepin-7-ylamino)-2-indol-1-yl-3-keto-propionic acid Formula: C16H14N4O3 MolecularWeight: 310.30736

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CN2C(C(=O)NC3=CC=CC=NN3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CN2C(C(=O)NC3=CC=CC=NN3)C(=O)O

InChI

InChI=1S/C16H14N4O3/c21-15(18-13-7-3-4-9-17-19-13)14(16(22)23)20-10-8-11-5-1-2-6-12(11)20/h1-10,14,19H,(H,18,21)(H,22,23)