[7-methoxy-2-(pyridin-4-ylamino)-1,3,4,5-tetrahydro-2-benzazepin-8-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: [7-methoxy-2-(pyridin-4-ylamino)-1,3,4,5-tetrahydro-2-benzazepin-8-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: [7-methoxy-2-(4-pyridylamino)-1,3,4,5-tetrahydro-2-benzazepin-8-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 3,4-dihydro-1H-isoquinoline-2-carboxylic acid [7-methoxy-2-(pyridin-4-ylamino)-1,3,4,5-tetrahydro-2-benzazepin-8-yl] ester IUPAC Name: [7-methoxy-2-(pyridin-4-ylamino)-1,3,4,5-tetrahydro-2-benzazepin-8-yl] 3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 3,4-dihydro-1H-isoquinoline-2-carboxylic acid [7-methoxy-2-(4-pyridylamino)-1,3,4,5-tetrahydro-2-benzazepin-8-yl] ester Formula: C26H28N4O3 MolecularWeight: 444.52552

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCCC2=C1)NC3=CC=NC=C3)OC(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

COC1=C(C=C2CN(CCCC2=C1)NC3=CC=NC=C3)OC(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C26H28N4O3/c1-32-24-15-20-7-4-13-30(28-23-8-11-27-12-9-23)18-22(20)16-25(24)33-26(31)29-14-10-19-5-2-3-6-21(19)17-29/h2-3,5-6,8-9,11-12,15-16H,4,7,10,13-14,17-18H2,1H3,(H,27,28)