4-piperazin-1-ylbut-1-ynyl 2-(3-oxidanylidene-2-phenethyl-4,5-dihydro-1H-2-benzazepin-4-yl)ethanoate

Systemtic Name: 4-piperazin-1-ylbut-1-ynyl 2-(3-oxidanylidene-2-phenethyl-4,5-dihydro-1H-2-benzazepin-4-yl)ethanoate Openeye Name: 4-piperazin-1-ylbut-1-ynyl 2-(3-oxo-2-phenethyl-4,5-dihydro-1H-2-benzazepin-4-yl)acetate CAS Name: 2-(3-oxo-2-phenethyl-4,5-dihydro-1H-2-benzazepin-4-yl)acetic acid 4-(1-piperazinyl)but-1-ynyl ester IUPAC Name: 4-piperazin-1-ylbut-1-ynyl 2-(3-oxo-2-phenethyl-4,5-dihydro-1H-2-benzazepin-4-yl)acetate Traditional Name: 2-(3-keto-2-phenethyl-4,5-dihydro-1H-2-benzazepin-4-yl)acetic acid 4-piperazinobut-1-ynyl ester Formula: C28H33N3O3 MolecularWeight: 459.57992

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)CCC#COC(=O)CC2CC3=CC=CC=C3CN(C2=O)CCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1)CCC#COC(=O)CC2CC3=CC=CC=C3CN(C2=O)CCC4=CC=CC=C4

InChI

InChI=1S/C28H33N3O3/c32-27(34-19-7-6-15-30-17-13-29-14-18-30)21-26-20-24-10-4-5-11-25(24)22-31(28(26)33)16-12-23-8-2-1-3-9-23/h1-5,8-11,26,29H,6,12-18,20-22H2