2-[2-[5-(pyridin-2-ylamino)pentylcarbamoyl]-1,3,4,5-tetrahydro-2-benzazepin-5-yl]ethanoic acid

Systemtic Name: 2-[2-[5-(pyridin-2-ylamino)pentylcarbamoyl]-1,3,4,5-tetrahydro-2-benzazepin-5-yl]ethanoic acid Openeye Name: 2-[2-[5-(2-pyridylamino)pentylcarbamoyl]-1,3,4,5-tetrahydro-2-benzazepin-5-yl]acetic acid CAS Name: 2-[2-[oxo-[5-(2-pyridinylamino)pentylamino]methyl]-1,3,4,5-tetrahydro-2-benzazepin-5-yl]acetic acid IUPAC Name: 2-[2-[5-(pyridin-2-ylamino)pentylcarbamoyl]-1,3,4,5-tetrahydro-2-benzazepin-5-yl]acetic acid Traditional Name: 2-[2-[5-(2-pyridylamino)pentylcarbamoyl]-1,3,4,5-tetrahydro-2-benzazepin-5-yl]acetic acid Formula: C23H30N4O3 MolecularWeight: 410.5093

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C2C1CC(=O)O)C(=O)NCCCCCNC3=CC=CC=N3

Isomeric SMILES

C1CN(CC2=CC=CC=C2C1CC(=O)O)C(=O)NCCCCCNC3=CC=CC=N3

InChI

InChI=1S/C23H30N4O3/c28-22(29)16-18-11-15-27(17-19-8-2-3-9-20(18)19)23(30)26-14-6-1-5-12-24-21-10-4-7-13-25-21/h2-4,7-10,13,18H,1,5-6,11-12,14-17H2,(H,24,25)(H,26,30)(H,28,29)