2-[3-[2-(pyridin-2-ylamino)ethylcarbamoyl]-1,2-dihydro-3-benzazepin-5-yl]ethanoic acid

Systemtic Name: 2-[3-[2-(pyridin-2-ylamino)ethylcarbamoyl]-1,2-dihydro-3-benzazepin-5-yl]ethanoic acid Openeye Name: 2-[3-[2-(2-pyridylamino)ethylcarbamoyl]-1,2-dihydro-3-benzazepin-5-yl]acetic acid CAS Name: 2-[3-[oxo-[2-(2-pyridinylamino)ethylamino]methyl]-1,2-dihydro-3-benzazepin-5-yl]acetic acid IUPAC Name: 2-[3-[2-(pyridin-2-ylamino)ethylcarbamoyl]-1,2-dihydro-3-benzazepin-5-yl]acetic acid Traditional Name: 2-[3-[2-(2-pyridylamino)ethylcarbamoyl]-1,2-dihydro-3-benzazepin-5-yl]acetic acid Formula: C20H22N4O3 MolecularWeight: 366.41368

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C=C(C2=CC=CC=C21)CC(=O)O)C(=O)NCCNC3=CC=CC=N3

Isomeric SMILES

C1CN(C=C(C2=CC=CC=C21)CC(=O)O)C(=O)NCCNC3=CC=CC=N3

InChI

InChI=1S/C20H22N4O3/c25-19(26)13-16-14-24(12-8-15-5-1-2-6-17(15)16)20(27)23-11-10-22-18-7-3-4-9-21-18/h1-7,9,14H,8,10-13H2,(H,21,22)(H,23,27)(H,25,26)