2-[4-[[4-(pyridin-2-ylamino)butanoylamino]methyl]-2,3-dihydro-1H-1-benzazepin-2-yl]ethanoic acid

Systemtic Name: 2-[4-[[4-(pyridin-2-ylamino)butanoylamino]methyl]-2,3-dihydro-1H-1-benzazepin-2-yl]ethanoic acid Openeye Name: 2-[4-[[4-(2-pyridylamino)butanoylamino]methyl]-2,3-dihydro-1H-1-benzazepin-2-yl]acetic acid CAS Name: 2-[4-[[[1-oxo-4-(2-pyridinylamino)butyl]amino]methyl]-2,3-dihydro-1H-1-benzazepin-2-yl]acetic acid IUPAC Name: 2-[4-[[4-(pyridin-2-ylamino)butanoylamino]methyl]-2,3-dihydro-1H-1-benzazepin-2-yl]acetic acid Traditional Name: 2-[4-[[4-(2-pyridylamino)butanoylamino]methyl]-2,3-dihydro-1H-1-benzazepin-2-yl]acetic acid Formula: C22H26N4O3 MolecularWeight: 394.46684

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NC2=CC=CC=C2C=C1CNC(=O)CCCNC3=CC=CC=N3)CC(=O)O

Isomeric SMILES

C1C(NC2=CC=CC=C2C=C1CNC(=O)CCCNC3=CC=CC=N3)CC(=O)O

InChI

InChI=1S/C22H26N4O3/c27-21(9-5-11-24-20-8-3-4-10-23-20)25-15-16-12-17-6-1-2-7-19(17)26-18(13-16)14-22(28)29/h1-4,6-8,10,12,18,26H,5,9,11,13-15H2,(H,23,24)(H,25,27)(H,28,29)