2-[[5-chloranyl-2-[(3-ethyl-7-methoxy-4-oxidanylidene-2,5-dihydro-1H-3-benzazepin-6-yl)amino]pyrimidin-4-yl]amino]-N-ethyl-benzamide

Systemtic Name: 2-[[5-chloranyl-2-[(3-ethyl-7-methoxy-4-oxidanylidene-2,5-dihydro-1H-3-benzazepin-6-yl)amino]pyrimidin-4-yl]amino]-N-ethyl-benzamide Openeye Name: 2-[[5-chloro-2-[(3-ethyl-7-methoxy-4-oxo-2,5-dihydro-1H-3-benzazepin-6-yl)amino]pyrimidin-4-yl]amino]-N-ethyl-benzamide CAS Name: 2-[[5-chloro-2-[(3-ethyl-7-methoxy-4-oxo-2,5-dihydro-1H-3-benzazepin-6-yl)amino]-4-pyrimidinyl]amino]-N-ethylbenzamide IUPAC Name: 2-[[5-chloro-2-[(3-ethyl-7-methoxy-4-oxo-2,5-dihydro-1H-3-benzazepin-6-yl)amino]pyrimidin-4-yl]amino]-N-ethylbenzamide Traditional Name: 2-[[5-chloro-2-[(3-ethyl-4-keto-7-methoxy-2,5-dihydro-1H-3-benzazepin-6-yl)amino]pyrimidin-4-yl]amino]-N-ethyl-benzamide Formula: C26H29ClN6O3 MolecularWeight: 508.99986

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C=CC4=C3CC(=O)N(CC4)CC)OC

Isomeric SMILES

CCNC(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C=CC4=C3CC(=O)N(CC4)CC)OC

InChI

InChI=1S/C26H29ClN6O3/c1-4-28-25(35)17-8-6-7-9-20(17)30-24-19(27)15-29-26(32-24)31-23-18-14-22(34)33(5-2)13-12-16(18)10-11-21(23)36-3/h6-11,15H,4-5,12-14H2,1-3H3,(H,28,35)(H2,29,30,31,32)