2-[4-[[3-(3-azanylbutanoylamino)-7-fluoranyl-5-methyl-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl]methyl]phenyl]-N-ethyl-benzamide

Systemtic Name: 2-[4-[[3-(3-azanylbutanoylamino)-7-fluoranyl-5-methyl-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl]methyl]phenyl]-N-ethyl-benzamide Openeye Name: 2-[4-[[3-(3-aminobutanoylamino)-7-fluoro-5-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]methyl]phenyl]-N-ethyl-benzamide CAS Name: 2-[4-[[3-[(3-amino-1-oxobutyl)amino]-7-fluoro-5-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]methyl]phenyl]-N-ethylbenzamide IUPAC Name: 2-[4-[[3-(3-aminobutanoylamino)-7-fluoro-5-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]methyl]phenyl]-N-ethylbenzamide Traditional Name: 2-[4-[[3-(3-aminobutanoylamino)-7-fluoro-2-keto-5-methyl-4,5-dihydro-3H-1-benzazepin-1-yl]methyl]phenyl]-N-ethyl-benzamide Formula: C31H35FN4O3 MolecularWeight: 530.633003

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=CC=CC=C1C2=CC=C(C=C2)CN3C4=C(C=C(C=C4)F)C(CC(C3=O)NC(=O)CC(C)N)C

Isomeric SMILES

CCNC(=O)C1=CC=CC=C1C2=CC=C(C=C2)CN3C4=C(C=C(C=C4)F)C(CC(C3=O)NC(=O)CC(C)N)C

InChI

InChI=1S/C31H35FN4O3/c1-4-34-30(38)25-8-6-5-7-24(25)22-11-9-21(10-12-22)18-36-28-14-13-23(32)17-26(28)19(2)15-27(31(36)39)35-29(37)16-20(3)33/h5-14,17,19-20,27H,4,15-16,18,33H2,1-3H3,(H,34,38)(H,35,37)